Conference: Methods and applications of computational chemistry. Kiev (RUS) 2007. Title: Membre del comité organitzador internacional Author: Solà, M. Conference: 17a Reunió de la red de química teórica i computacional de Catalunya. Tarragona (ESP) 2001. Title: Chairman de la segona sessió del matí del dia 4 de juliol Author: Solà, M. Conference: XVI Reunió de la Xarxa de Química Teòrica de la Generalitat de Catalunya. Barcelona (ESP) 2000. Title: Índexs de localització i deslocalització electrònica. Aplicació a la reactivitat química Author: Poater, J.; Duran, M.; Solà, M.; Fradera, X. Conference: XVI Reunió anual de la xarxa de Química Teòrica de la Generalitat de Catalunya. Barcelona (ESP) 2000. Title: Hi ha alguna relació entre les funcions de Fukui i la duresa? Author: Torrent-Sucarrat, M.; Duran, M.; Solà, M.
Conference: PCST Conference Creating Common Ground (PCST2023). Rotterdam (NLD) 2023. Title: Demonstration: Research, science, games and fun Author: Simon, S.; Alcaide, C.; Duran, M.; Blasco, F.; Solà, M.; Grèbol, J. Conference: 243rd ECS Meeting. Boston (USA) 2023. Title: From (Sub)Porphyrin to (Sub)Phthalocyanine: Aromaticity Signatures in the UV-Vis Absorption Spectra Author: Escayola, S.; Labella, J.; Szczepanik, D. W.; Poater, A.; Solà, M.; Torres, T.; Matito, E. Conference: 244th ECS Meeting. Gothenburg (SWE) 2023. Title: Exploring Fullerene-Perovskite Interactions By Means of Density Functional Simulations Author: Posada-Pérez, S.; George, G.; Vidal-López, A.; Solà, M.; Poater, A. Conference: XXXIX Reunión Bienal de la Real Sociedad Española de Química. Saragossa (ESP) 2023. Title: Excited state aromaticity in organic compounds Author: Solà, M.; Escayola, S.; El Bakouri, O.; Radenković, S.; Proos Vedin, N.; Ottosson, H, Conference: 244th ECS Meeting. Gothenburg (SWE) 2023. Title: γ-Graphyne: A Promising Electron Acceptor for Organic Photovoltaics Author: Stasuyk, A. J.; Stasyuk, O. A.; Solà, M. Conference: 243rd ECS Meeting. Boston (USA) 2023. Title: Photoinduced electron transfer in dyads involving complexes of C60 and nanohoops. Effect of π-extension and aromaticity of the nanohoop Author: Solà, M.; George, G.; Stasyuk, O. A.; Stasyuk, A. J.; Voityuk, A. A. Conference: European Meeting on Physical Organic Chemistry. Wroclaw (POL) 2023. Title: Nido cage···π and cage-···cage- interactions: two new types of non-covalent interactions Author: Solà, M., Poater, J.; Escayola, S.; Viñas, C.; Teixidor, F.; Tu, D.; Yan, H. Conference: XXXIX Reunión Bienal de la Real Sociedad Española de Química. Saragossa (ESP) 2023. Title: Aromaticity and extrusion of benzenoids linked to [o-COSAN]-: Clar has the answer Author: Poater, J.; Viñas, C.; Solà, M.; Teixidor, F. Conference: 243rd ECS Meeting. Boston (USA) 2023. Title: 3D Aromaticity in Borane and Carborane Derivatives Author: Solà, M.; Poater, J.; Escayola, S.; Tu, D.; Yan, H.; Viñas, C.; Teixidor, F. Conference: XXXIX Reunión Bienal de la Real Sociedad Española de Química. Saragossa (ESP) 2023. Title: Simple and effective evaluation of the effect of electric fields in chemical reactivity and charge transfer processes Author: Luis, J. M.; Besalú-Sala, P.; Voityuk, A. A.; Solà, M.; Torrent-Sucarrat, M. Conference: The 5th International Symposium on the Synthesis and Application of Curved Organic π-Molecules and Materials (CURO π5) 2023. Prague (CZE) 2023. Title: 3D-Aromaticity or 2D-Aromaticity-in-3D? Author: Solà, M.; El Bakouri, O.; Szczepanik, D. W.; Jorner, K.; Ayub, R.; Bultinck, P.; Ottosson, H. Conference: 244th ECS Meeting. Gothenburg (SWE) 2023. Title: Two-Dimensional Carbon Nitride As a Support of Single Metal Atom for Carbon Dioxide Reduction Reaction Author: Posada-Pérez, S.; Vidal-López, A.; Solà, M.; Poater, A. Conference: IUPAC World Chemistry Congress 2023. The Hague (NLD) 2023. Title: Construction of Hybrid Conjugation via Boron Cage Extension Author: Poater, J.; Solà, M.; Tu, D.; Yan, H. Conference: Theoretical Physical Organic Chemistry (TPOC) online meeting. (USA) 2022. Title: Aromaticity directs the excited-state properties of the host-guest complexes of nanohoops Author: Gibu George; Olga A. Stasyuk; Alexander A. Voityuk; Anton J. Stasyuk; Miquel Solà Conference: IQCC Challenges #4. (ESP) 2022. Title: Synthesis of nitrogenated polycyclic compounds through carbene-alkyne metathesis cascades Author: Àlex Díaz-Jiménez; Roger Monreal-Corona; Miquel Solà; Albert Poater; Anna Roglans; Anna Pla-Quintana Conference: Math/Chem/Comp (Mathematics, Chemistry, Computers) Conference (MCC2-33). Dubrovnik (CRO) 2022. Title: Charge transfer processes in complexes of C<sub>60</sub> and π-conjugated nanohoops Author: Solà, M.; George, G.; Stasyuk, O. A.; Voityuk, A. A.; Stasyuk, A. J. Conference: Gordon research conference: Hybrid Electronic and Photonic Materials and Phenomena. Castelldefels (ESP) 2022. Title: Photoinduced charge separation in dyads involving complexes of C60 and nanohoops with different levels of π-extension and aromaticity Author: Solà, M.; George, G.; Stasyuk, O. A.; Voityuk, A. A.; Stasyuk, A. J. Conference: 2nd meeting of the Excellence Network MODE-fotovoltaica. Madrid (ESP) 2022. Title: Photoinduced electron transfer in complexes of C<sub>60</sub> and [n]cycloparaphenylenes Author: Solà, M.; Stasyuk, A. J.; Stasyuk, O. A.; Voityuk, A. A. Conference: Pacifichem 2021. Honululu (USA) 2021. Title: Nido Cage···π Interactions: New Non-Covalent Interactions Author: Solà, M.; Poater, J.; Tu, D.; Yan, H.; Viñas, C.; Teixidor, F. Conference: Math/Chem/Comp (Mathematics, Chemistry, Computers) Conference (MCC'21). Dubrovnik (CRO) 2021. Title: Nido Cage···π Non-Covalent Interactions Author: Solà, M.; Poater, J.; Tu, D.; Yan, H.; Viñas, C.; Teixidor, F. Conference: 239th ECS Meeting. Chicago (ENG) 2021. Title: Water-soluble fullerenes (C<sub>60</sub> and C<sub>70</sub>) with photoinduced ROS generation Author: Liosi, K.; Stasyuk, A. J.; Masero, F.; Mougel, V.; Solà, M.; Yamakoshi, Y. Conference: European Meeting on Physical Organic Chemistry 2021. Wroclaw (POL) 2021. Title: Photoinduced charge separation and reactivity of Li<sup>+</sup>-encapsulated carbon nano-onions Author: Solà, M. Conference: Pacifichem 2021. Honululu (USA) 2021. Title: Open-shell metalloaromaticity Author: Solà, M.; Poater, J.; Chen, D.; Szczepanik, D. Conference: 239th ECS Meeting. Chicago (ENG) 2021. Title: Reactivity of Li<sup>+</sup>@C<sub>60</sub>@C<sub>240</sub> and Photoinduced Charge Shift in Li<sup>+</sup> Doped Giant Nested Fullerenes Author: Solà, M.; Luque-Urrutia, J. A.; Stasyuk, A. J.; Stasyuk, O. A.; Poater, A.; Voityuk, A. A. Conference: II Meeting of the Spanish Photovoltaics Excellence Network "Orgenergy'. Madrid (ESP) 2019. Title: Computational studies of the photoinduced electron transfer in metal-fullerene hybrids, porphyrin-fullerene akamptisomers, and all-fullerene hetero dyads Author: Solà, M.; Stasyuk, A. J.; Stasyuk, O. A.; Voityuk; A. A. Conference: 25th Solvay Conference in Chemistry: Computational Modeling: From Chemistry to Materials to Biology. Brussels (BEL) 2019. Title: Modeling of Functional Materials Author: Solà, M.; van Speybroek, V.; Reuter, K.; Smit, B.; Gagliardi, L.; Roethlisberger, U. Conference: First International Conference on Excited State Aromaticity and Antiaromaticity (ICESAA). Sigtuna (SWE) 2019. Title: When and When not is Excited State Aromaticity a Driving Force for Planarization of 8&p.-Electron Heterocycles? Author: Toldo, J.; Slanina, T.; El Bakouri, O.; Solà, M.; Norrby, P.-O.; Ottosson, H. Conference: The 18th International Symposium on Novel Aromatic Compounds (ISNA-18). Sapporo (JPN) 2019. Title: Hückel's rule categorizes Aromatic Closo-Boron Hydride Clusters Author: Poater, J.; Solà, M.; Viñas, C.; Teixidor, F. Conference: 62nd Annual Scientific Meeting of the Polish Chemical Society. Varsòvia (POL) 2019. Title: A Journey Through Aromaticity: Measures, Benchmarks, and Rules Author: Solà, M. Conference: First International Conference on Excited State Aromaticity and Antiaromaticity (ICESAA). Sigtuna (SWE) 2019. Title: Electron Delocalization and the Magnetically Induced Ring Current in Poly- And Macrocyclic Aromatics Author: Szczepanik D. W.; Solà, M. Conference: First International Conference on Excited State Aromaticity and Antiaromaticity (ICESAA). Sigtuna (SWE) 2019. Title: An overview of the diferent forms of aromaticity Author: Solà, M. Conference: 3rd International Caparica Christmas Conference on Translational Chemistry. Lisbon (PRT) 2019. Title: Open-shell Jellium aromaticity in metal clusters Author: Poater, J.; Solà, M. Conference: First International Conference on Excited State Aromaticity and Antiaromaticity (ICESAA). Sigtuna (SWE) 2019. Title: Extension of the Baird Rule to Spherical Aromatic Species Author: Poater, J.; Solà, M. Conference: 12th Annual International Conference of Education, Research and Innovation (ICERI 2019). Sevilla (ESP) 2019. Title: 52 Games with the Periodic Table and Beyond Author: Simon, S.; Blasco, F.; Solà, M.;Poater, J.; Duran, M. Conference: First International Conference on Excited State Aromaticity and Antiaromaticity (ICESAA). Sigtuna (SWE) 2019. Title: Electron density based aromaticity indices Author: Solà, M. Conference: European Meeting on Physical Organic Chemistry. Spala (POL) 2019. Title: Electron delocalization in metallacycles: Hückel or Möbius aromatic? Author: Szczepanik D.; Solà, M. Conference: 2nd European Symposium on Chemical Bonding. Oviedo (ESP) 2018. Title: Aromaticity of Closo Boron Hydride Clusters linked to Polycyclic Aromatic Hydrocarbons via Hückel's Rule Author: Poater, J.; Solà, M.; Viñas, C.; Teixidor, F. Conference: Aromaticity 2018. Riviera Maya (MEX) 2018. Title: Combining and connecting rules. Toward a unified theory of aromaticity Author: Solà, M. Conference: International Conference on Phosphorus, Boron and Silicon 2018. Barcelona (ESP) 2018. Title: Linking hydrocarbon and boron hydride chemistries and bidimensional and three-dimensional aromaticities Author: Solà, M.; Poater, J.; Viñas, C.; Teixidor, F. Conference: 12th Spanish-Italian Symposium on Organic Chemistry (SISOC-XII). Ferrara (ITA) 2018. Title: New challenges in Rh(I)-catalysed [2+2+2] cycloaddition reactions Author: Roglans. A. Conference: Symposium on Electronic Structure and Dynamics. Kharagpur (IND) 2018. Title: Metallaelectrides: Halfway between Electrides and Metals Author: Solà, M.; El Bakouri, O.; Postils, V.; Garcia-Borràs, F.; Feixas, F.; Luis, J. M.; Matito, E. Conference: Math/Chem/Comp (Mathematics, Chemistry, Computers) Conference (MCC'18). Dubrovnik (CRO) 2018. Title: Linking hydrocarbon and boron hydride chemistries and bidimensional and three-dimensional aromaticities Author: Solà, M.; Poater, J.; Viñas, C.; Teixidor, F. Conference: 3rd workshop on MAGnetically Induced Currents in Molecules (MAGIC 2018). Kragujevac (SRB) 2018. Title: Link between aromatic polycyclic aromatic hydrocarbons and boron hydrides Author: Poater, J.; Solà, M.; Viñas, C.; Teixidor, F. Conference: Math/Chem/Comp (Mathematics, Chemistry, Computers) Conference (MCC'17). Dubrovnik (CRO) 2017. Title: The aromaticity of low-lying excited states Author: Solà, M.; El Bakouri, O.; Poater, J.; Feixas. F. Conference: EMN Meeting on Computation and Theory 2017. Dubai (ARE) 2017. Title: Bridge between the aromaticity of polycyclic aromatic hydrocarbons and closo borohydrides Author: Poater, J.; Solà, M.; Viñas, C.; Teixidor, F. Conference: Central European School on Physical Organic Chemistry 2017. Wroclaw (POL) 2017. Title: Baird's aromaticity in organic and inorganic species Author: Solà, M. Conference: XXXXIII Congrès de Chimie Théorique d'expression latine (CHITEL ou QUITEL 2017). Paris (FRA) 2017. Title: Baird's rule of aromaticity and antiaromaticity Author: Solà, M.; El Bakouri, O.; Poater, J.; Feixas, F. Conference: Math/Chem/Comp (Mathematics, Chemistry, Computers) Conference (MCC'16). Dubrovnik (CRO) 2016. Title: The Reactivity in Fullerenes With Different Charges and Spin States. Aromaticity Effects Author: Solà, M.; El Bakouri, O.; Garcia-Borràs, M.; Osuna, S.; Swart, M.; Luis, J. M. Conference: 229th ECS Meeting. San Diego (USA) 2016. Title: Aromaticity, Cage Structure, and Relative Abundancy of Endohedral Metallofullerenes Author: Luis, J. M.; Garcia-Borràs, M.;Osuna, S.; Solà, M. Conference: Solvay workshop: Conceptual Quantum Chemistry: Present Aspects and Challenges for the Future. Brussels (BEL) 2016. Title: Characterization and identification of molecular electrides Author: Matito, E.; Postils, V.; El Bakouir, O.; Sitkiewicz, S.; Garcia-Borràs, M.; Contreras-García, J.; Feixas, F.; Solà, M.; Luis, J. M. Conference: XII Girona Seminar Predictive Catalysis: Transition-Metal Reactivity by Design. Girona (ESP) 2016. Title: Molecular Electrides and Metallaelectrides Author: Solà, M.; Postils, V.; El Bakouri, O.; Garcia-Borràs, M.; Feixas, F.; Luis, J. M.; Matito, E. Conference: 2nd Workshop on MAGnetically Induced Currents in Molecules (MAGIC 2016). Fisciano (ITA) 2016. Title: Electron delocalization and aromaticity in low-lying excited states Author: Solà, M.; El Bakouri, O.; Poater, J.; Matito, E.; Feixas, F. Conference: EuroBoron7. Suzdal (RUS) 2016. Title: Hückel's Rule of Aromaticity Applies to closo Boron Hydride Clusters Author: Teixidor, F.; Viñas, C.; Poater, J.; Solà, M. Conference: Solvay workshop: Conceptual Quantum Chemistry: Present Aspects and Challenges for the Future. Brussels (BEL) 2016. Title: Connecting hydrocarbon and boron hydride chemistries and bidimensional and three-dimensional aromaticities Author: Solà, M.; Poater, J.; Viñas, C.; Teixidor, F. Conference: IV Jornadas de Divulgación Innovadora. Zaragoza (ESP) 2016. Title: Buscando tres pies al gato de Schrödinger Author: Simon, S.; Poater, J.; Duran, M.; Solà, M. Conference: 229th ECS Meeting. San Diego (USA) 2016. Title: Regioselectivity of Bingel-Hirsch Cycloadditions on IPR Endohedral Metallofullerenes Author: Garcia-Borràs, M.; Osuna, S.; Luis, J. M.; Echegoyen, L.; Solà, M.; Conference: 229th ECS Meeting. San Diego (USA) 2016. Title: The Regioselectivity of the Diels-Alder and Bingel-Hirsch Additions to La@C2v-C82 Author: Solà, M.; Martínez, J. P.; Garcia-Borràs, M.; Swart, M.; Poater, J.; Bickelhaupt, F. M.; Luis, J. M.; Osuna, S. Conference: ESPA 2016. Electronic Structure: Principles and Applications. Castelló (ESP) 2016. Title: The Reactivity in Fullerenes With Different Charges and Spin States. Aromaticity Effects Author: Solà, M.; El Bakouri, O.; Garcia-Borràs, M.; Osuna, S.; Swart, M.; Luis, J. M. Conference: WinterSchool on Computational Chemistry. Brussels (BEL) 2015. Title: Eight rules of aromaticity Author: Solà, M. Conference: Math/Chem/Comp (Mathematics, Chemistry, Computers) Conference (MCC'15). Dubrovnik (CRO) 2015. Title: Molecular Electrides and Superelectrides Author: Solà, M.; Postils, V.; El-Bakouri, O.; Garcia-Borràs, M.; Feixas, F.; Luis, J. M.; Matito, E. Conference: ICIQ-FIFC Spain-Japan Joint Symposium on Theoretical and Computational Chemistry for Complex Systems. Tarragona (ESP) 2015. Title: Molecular electrides and metallaelectrides Author: Miquel Solà; Verònica Postils; Ouissam El-Bakouri; Marc Garcia-Borràs; Ferran Feixas; Josep M. Luis; Eduard Matito Conference: Evert Jan Baerends Symposium. Amsterdam (NLD) 2015. Title: Influence of the charge and spin state in the aromaticity of fullerenes. Effects on their molecular structure and reactivity Author: Miquel Solà; Marc Garcia-Borràs; Sílvia Osuna, Marcel Swart; Josep M. Luis Conference: Topical Agriculture Conference 2015 (TropAg2015). Brisbane (AUS) 2015. Title: Use of computational modelling of the venus fly trap domain of the sweet taste receptor (hTas1R2) to predict sensorial perception in humans Author: Roura, E.; Osuna, S.; Dias, L.; Solà, M.; Kusuma, G.; Swart, M. Conference: XI Girona Seminar on Carbon, Metal, and Carbon-Metal Clusters: From Theory to Applications. Girona (ESP) 2014. Title: Bingel-Hirsch Derivatization of Endohedral Metallofullerenes Author: Osuna, S.; Garcia-Borràs, M.; Swart, M.; Luis, J.M.; Echegoyen, L.; Solà, M. Conference: 10th Triennial Congress of the World Association of Theoretical and Computational Chemists WATOC 2014. Santiago de Chile (CHL) 2014. Title: Aromaticity in Fullerenes and Endohedral Metallofullerenes. Effects on Molecular Structure and Reactivity Author: Solà, M.; Garcia-Borràs, M.; Osuna, S.; Swart,M.; Luis, J. M. Conference: XI Girona Seminar on Carbon, Metal, and Carbon-Metal Clusters: From Theory to Applications. Girona (ESP) 2014. Title: Aromaticity as the Driving Force to Determine the Endohedral Metallofullerene Cage Structure and Reactivity Author: Luis, J.M.; Garcia-Borràs, M.; Osuna, S.; Swart, M.; Solà, M. Conference: International Conference on Chemical Bonding. Lihue (USA) 2013. Title: Aromaticity in fullerenes and endohedral metallofullerenes. Effects on electronic structure, molecular structure, and reactivity Author: Solà, M.; Garcia-Borràs, M.; Osuna, S.; Poater, J.; Swart, M.; Luis, J. M. Conference: EuroBoron6. Radziejowice (POL) 2013. Title: Boranes and hydrocarbons, are they electronically so different? Author: Teixidor, F.; Viñas, C.; Poater, J.; Solà, M. Conference: 9th Seminars of Advanced Studies on Molecular Design and Bioinformatics: Energy. La Habana (CUB) 2013. Title: A New Means to Characterize and Identify Electrides Author: Matito, E.; Postils, V.; Garcia-Borràs, M.; Solà, M.; Luis, J. M. Conference: Methods and Applications of Computational Chemistry, (MACC-5). Kharkiv (UCR) 2013. Title: Computational Insights in Olefin Metathesis Author: Poater, A.; Solà, M.; Cavallo, L. Conference: Quantum Mechanics and Molecular Dynamics of Chemical and Biological Reactivity. Los Angeles (USA) 2012. Title: Chemical reactivity of Endohedral Fullerenes Author: Swart, M.; Garcia-Borràs, M.; Osuna, S.; Luis, J.M.; Solà, M. Conference: XXVIII Reunió Anual de Xarxa de Referència de Química Teòrica i Computacional. Barcelona (ESP) 2012. Title: From all-metal aromatic clusters to open-shell spherical aromaticity Author: Poater, J.; Feixas, F.; Matito, E.; Solà, M. Conference: Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists WATOC 2011. Santiago de Compostela (ESP) 2011. Title: Recent advances in the aromaticity of inorganic clusters and fullerenes Author: Solà, M.; Feixas, F.; Matito, E.; Poater, J. Conference: XXVII Reunió Anual de la XRQTC. Tarragona (ESP) 2011. Title: Recent advances with the SSB-D functional Author: Swart, M.; Solà, M.; Bickelhaupt, F.M.; Armangué, L.; Johansson, M.P. Conference: XXXIII Reunión Bienal de la Real Sociedad Española de Química. Valencia (ESP) 2011. Title: Fullerene reactivity: what can be learned from computational studies Author: Osuna, S.; Swart, M.; Solà, M. Conference: XXXVII Congreso de Químicos Teóricos de Expresión Latina (CHITEL o QUITEL 2011). Riviera Maya (MEX) 2011. Title: Dispersion Corrections are Essential for the Study of Chemical Reactivity in fullerenes and related compounds Author: Osuna, S.; Garcia-Borràs, M.; Luis, J. M.; Houk; K. N.; Swart, M.; Solà, M.; Conference: Girona Workshop on Theoretical Chemistry 2010. Girona (ESP) 2010. Title: Improved density functional for biological applications (SSB-D) Author: Swart, M.; Solà, M.; Bickelhaupt, F.M.; Johansson, M.P.; Armangué, Ll. Conference: Girona Workshop on Theoretical Chemistry 2010. Girona (ESP) 2010. Title: The electron localization function at the correlated level: a natural orbital formulation Author: Matito, E.; Feixas, F.; Duran, M.; Solà, M.; Silvi, B. Conference: Girona Workshop on Theoretical Chemistry 2010. Girona (ESP) 2010. Title: Patterns of &p.-electron delocalization in aromatic molecules Author: Solà, M.; Feixas, F.; Matito, E.; Poater, J. Conference: II Congrés Internacional de Didàctiques (CIDd). Girona (ESP) 2010. Title: La recerca com a eina permeabilitzadora de la interfase universitat-ensenyament secundari Author: Duran, M:; Duran Carpintero, J.; Solà, M.; Simon, S. Conference: Twenty Years ELF. Paris (FRA) 2010. Title: The Electron localization function at the correlated level: A natural orbital formulation Author: Matito, E.; Feixas, F.; Silvi, B.; Duran, M.; Solà, M. Conference: IX Girona Seminar on Electron Density, Density Matrices, and Density Functional Theory. Girona (ESP) 2010. Title: (Revised) SSB-D: A new functional for biological applications Author: Swart, M.; Solà, M.; Bickelhaupt, F.M.; Armangué, Ll.; Johansson, M.P. Conference: Congrès de Chimie Théorique d'expression latine (CHITEL ou QUITEL 2010). Anglet (FRA) 2010. Title: Performance of some widely used aromaticity indices. Can &p.-electron delocalization patterns help us to define better indices? Author: Solà, M.; Feixas, F.; Matito, E.; Poater, J. Conference: Workshop on Theoretical Chemistry. Platja d'Aro (ESP) 2009. Title: Localization, delocalization and aromaticity from CASSCF wave functions Author: Solà, M.; Feixas, F.; Matito, E. Conference: International Conference of Computational Methods in Science and Engineering (ICCMSE 2009) . Rhodos (GRC) 2009. Title: On the reliability of the maximum hardness and minimum polarizability principles in nontotally symmetric vibrations Author: Solà, M.; Luis, J. M.; Torrent-Sucarrat, M. Conference: International Conference of Computational Methods in Science and Engineering (ICCMSE 2009). Rhodos (GRC) 2009. Title: Reactivity and regioselectivity of noble gas endohedral fullerenes Ng2@C60 species (Ng=He, Ne, Ar, Kr and Xe) Author: Swart, M.; Osuna, S.; Solà, M. Conference: 2nd User's Conference. Jornada de la Red Española de Supercomputación (RES). Santander (ESP) 2009. Title: The antioxidant effects of C60 derivatives. A DFT study of the reaction mechanism Author: Swart, M.; Osuna, S.; Solà, M. Conference: International Conference of Computational Methods in Science and Engineering (ICCMSE 2009). Rhodos (GRC) 2009. Title: Diels-Alder Reactivity of the Endohedral Fullerenes X3N@C78 (X= Sc, Y) Compared to the Free C78: The Encapsulation Effect and the Fullerene Strain Energy Author: Solà, M.; Osuna, S.; Swart, M. Conference: International Conference of Computational Methods in Science and Engineering (ICCMSE 2009). Rhodos (GRC) 2009. Title: Accurate description of spin states and its implications for catalysis Author: Swart, M.; Güell, M.; Solà, M. Conference: 9th European Biological Inorganic Chemistry Conference (Eurobic). Wroclaw (POL) 2008. Title: Accurate spin state energies for first-row transition metal compounds Author: Swart, M.; Güell, M.; Luis, J.M.; Solà, M. Conference: ADF Workshop. Barcelona (ESP) 2008. Title: A comparison between DFT implementations in Gaussian and ADF with two examples of applications using the ADF program Author: Solà, M. Conference: Seminar dedicated to 70th Birthday Anniversary of Prof. Tadeusz M. Krygowski. Warsaw (POL) 2008. Title: A comparison of the performance of different aromaticity indices (HOMA included) Author: Solà, M. Conference: Electronic Structure: Principles and Applications (ESPA 2008). Palma de Mallorca (ESP) 2008. Title: Recent Advances in the Quantification of Aromaticity Author: Solà, M.; Feixas, F.; Poater, J.; Matito, E. Conference: IV Reunión Químico-Orgánica del Mediterráneo (REQOMED IV). Girona (ESP) 2008. Title: Reactividad Diels-Alder de los fullerenos endoédricos M<sub>3</sub>N@C<sub>78</sub> (M = Sc y Y) comparada con la del C<sub>78</sub>. Cambio de reactividad por efecto de la encapsulación Author: Solà, M.; Osuna, S.; Swart, M. Conference: 2008 Molecular Informatics and Bioinformatics International Symposium. Budapest (HUN) 2008. Title: The aromaticity puzzle: How can one assess the quality of the information extracted from different indicators of aromaticity? Author: Solà, M., Feixas, F.; Matito, E.; Poater, J. Conference: Central european school on physical organic chemistry. Energetics in chemistry. Karpacz (POL) 2007. Title: Electronic aromaticity indexes Author: Matito, E.; Feixas, F.; Cioslowski, J.; Poater, J.; Solà, M. Conference: IV Jornada de Física i Química a l'IEC. Noves propostes per a la física i la química de secundària. Aportacions de l'àmbit universitari. Barcelona (ESP) 2007. Title: Laquimica.net, un projecte per apropar la química a la Societat Author: Solà, M. Conference: Donostia Physical Chemistry Symposium. Donostia (ESP) 2006. Title: Indicators of aromaticity based on the study of electronic delocalization Author: Solà, M.; Feixas, F.; Matito. E.; Poater, J. Conference: Chemical Reactivity. A three day International Conference on Theoretical Aspects of Reactivity. Brusel·les (BEL) 2006. Title: Electron delocalization in aromatic molecules Author: Solà, M.; Feixas, F.; Matito, E.; Poater, J. Conference: Workshop Progress in ab Initio Modeling of Biomolecules: Methods and Applications. Leiden (NLD) 2006. Title: Computational study on the structure of DNA Author: Swart, M.; van Bochove, M.A.; Solà, M.; Bickelhaupt, F.M. Conference: 8th FIGIPAS Meeting in Inorganic Chemistry. Atenes (GRC) 2005. Title: Cooperative effects in O2-activation at dinuclear Copper complexes Author: Company, A.; Lamata, D.; Fernández-Vallejo, O.; Ribas, X.; Fontrodona, X.; Costas, M.; Poater, A.; Solà, M.; Llobet, A.; Parella, T.; Benet-Buchholz, J. Conference: 207th Meeting of the Electrochemical Society (ECS). Québec (CAN) 2005. Title: New Aspect on the Regioselective Intramolecular Pauson-Khand Reaction on [60]Fullerene Author: Filippone, S.; Martín, N.; Altable, M.; Martin-Domenech, A.; Solà, M.; Poater, A. Conference: COST meeting D21 on Metalloenzymes and Chemical Biomimetics. Roma (ITA) 2005. Title: Cooperative effects in O2-activation at dinuclear Copper complexes Author: Company, A.; Lamata, D.; Fontrodona, X.; Costas, M.; Poater, A.; Solà, M.; Llobet, A.; Parella, T.; Benet-Buchholtz, J. Conference: 6th Girona Seminar on Molecular Similarity. Girona (ESP) 2003. Title: The Para Delocalization Index (PDI): A new electronic criterion of aromaticity Author: Solà, M.; Poater, J.; Duran, M.; Fradera, X. Conference: ESF Workshop: New Perspectives on Aromaticity. Exeter (GBR) 2003. Title: The para delocalization index (PDI): an electronic criterion of aromaticity Author: Solà, M.; Poater, J.; Duran, M.; Fradera, X. Conference: 5th Girona Seminar on Molecular Similarity. Girona (ESP) 2001. Title: On the validity of the maximum hardness principle Author: Solà, M.; Luis, J.M.; Duran, M.; Torrent-Sucarrat, M. Conference: XIII Reunión del Grupo de Química Teòrica de Cataluña. Barcelona (ESP) 1997. Title: Estudi teòric de les propietats elèctriques i de les característiques de biestabilitat de sistemes moleculars que puguin ésser emprats com a memòries moleculars òptiques Author: M. Solà
Conference: Math/Chem/Comp (Mathematics, Chemistry, Computers) Conference (MCC2-33). Dubrovnik (CRO) 2023. Title: Author: Solà, M. Conference: International Conference on Systems and Processes in Physics, Chemistry and Biology (ICSPPCB 2023). Silchar (IND) 2023. Title: Author: Solà, M. Conference: European Meeting on Physical Organic Chemistry. Wroclaw (POL) 2023. Title: Member of the International Scientific Committee Author: Solà, M. Conference: Math/Chem/Comp (Mathematics, Chemistry, Computers) Conference (MCC2-33). Dubrovnik (CRO) 2022. Title: Author: Solà, M. Conference: Math/Chem/Comp (Mathematics, Chemistry, Computers) Conference (MCC'20). Dubrovnik (CRO) 2021. Title: Author: Solà, M. Conference: Math/Chem/Comp (Mathematics, Chemistry, Computers) Conference (MCC'19). Dubrovnik (CRO) 2019. Title: Author: Solà, M. Conference: 45th International Conference of Theoretical Chemists of Latin Expression (Chitel/Quitel 2019). Montreal (CAN) 2019. Title: Author: Solà, M. Conference: Math/Chem/Comp (Mathematics, Chemistry, Computers) Conference (MCC'18). Dubrovnik (CRO) 2019. Title: Author: Solà, M. Conference: ESPA 2018. Electronic Structure: Principles and Applications. Toledo (ESP) 2018. Title: Author: Solà, M. Conference: 2nd European Symposium on Chemical Bonding. Oviedo (ESP) 2018. Title: Member of the International Scientific Committee Author: Solà, M. Conference: International Conference on Systems and Processes in Physics, Chemistry and Biology (ICSPPCB 2018). Silchar (IND) 2018. Title: Author: Solà, M. Conference: Math/Chem/Comp (Mathematics, Chemistry, Computers) Conference (MCC'18). Dubrovnik (CRO) 2018. Title: Author: Solà, M. Conference: Math/Chem/Comp (Mathematics, Chemistry, Computers) Conference (MCC'17). Dubrovnik (CRO) 2017. Title: Author: Solà, M. Conference: Solvay workshop: Conceptual Quantum Chemistry: Present Aspects and Challenges for the Future. Brussels (BEL) 2016. Title: Author: Solà, M. Conference: Math/Chem/Comp (Mathematics, Chemistry, Computers) Conference (MCC'16). Dubrovnik (CRO) 2016. Title: Author: Solà, M. Conference: Math/Chem/Comp (Mathematics, Chemistry, Computers) Conference (MCC'15). Dubrovnik (CRO) 2015. Title: Author: Solà, M. Conference: ESPA 2014. Electronic Structure: Principles and Applications. Badajoz (ESP) 2014. Title: Author: Solà, M. Conference: 10th Triennial Congress of the World Association of Theoretical and Computational Chemists WATOC 2014. Santiago de Chile (CHL) 2014. Title: Author: Solà, M. Conference: Methods and Applications of Computational Chemistry, (MACC-5). Kharkiv (UCR) 2013. Title: Author: Solà, M. Conference: ESPA 2012. Electronic Structure: Principles and Applications. Barcelona (ESP) 2012. Title: Author: Solà, M. Conference: QIES12. 15ª Reunión Bienal del Grupo Especializado de Química Inorgánica y 9ª Reunión Bienal del Grupo Especializado de Química del Estado Sólido de l. Girona (ESP) 2012. Title: Author: Solà, M. Conference: Methods and Applications of Computational Chemistry, (MACC-4). Lviv (UCR) 2011. Title: Author: Solà, M. Conference: XXXVII Congreso de Químicos Teóricos de Expresión Latina (CHITEL o QUITEL 2011). Riviera Maya (MEX) 2011. Title: Author: Solà, M. Conference: Symposium on Methods and Applications of Computational Chemistry (MACC-3). Odesa (UCR) 2009. Title: Membre del comité organitzador internacional Author: Solà, M.
Conference: Math/Chem/Comp (Mathematics, Chemistry, Computers) Conference (MCC2-34). Dubrovnik (CRO) 2023. Title: 3D-Aromaticity. Definition and Application to (Car)Boranes Author: Solà, M. Conference: XLIX Simposio "JACOBO GÓMEZ LARA". Guanajuato (MEX) 2023. Title: Estudio Computacional de la Activación de Enlaces X-Ph (X = F, Cl, Br, I) Utilizando Compuestos de Berilio Author: Trujillo, D. E.; Jiménez-Halla, J. O. C.; Solà, M. Conference: XII Trobada de Joves Investigadors dels Països Catalans. (ESP) 2022. Title: Catalitzadors bis(fenoxi‐imina) fluxionals per a la polimerització de polietilè Author: S. Escayola, A. Brotons-Rufes, N. Bahri-Laleh, F. Ragone, L. Cavallo, M. Solà, A. Poater, "Fluxional bis(phenoxy-imine) Zr and Ti catalysts for polymerization"; Theor Chem Acc 2021 140, 49. DOI: https://doi.org/10.1007/s00214 Conference: Math/Chem/Comp (Mathematics, Chemistry, Computers) Conference (MCC2-33). Dubrovnik (CRO) 2022. Title: Aromaticity: Basis, Types, Rules, and Quantification Author: Solà, M. Conference: 19th International Symposium on Novel Aromatic Compounds (ISNA19). Warsaw (POL) 2022. Title: Excited state (anti)aromaticity in (in)organic molecules Author: Solà, M.; Escayola, S.; Poater, J.; El Bakouri, O.; Szczepanik, D. W.; Proos Vedin, N.; Ottosson, H. Conference: 19th International Symposium on Novel Aromatic Compounds (ISNA19). Warsaw (POL) 2022. Title: BODIPY dyes based on heteroaromatic organoboron scaffolds as triplet-state photosensitizers for medicinal applications Author: Urbanowicz, K. A.; Marek-Urban, P. H.; Stasyuk, A. J.; Solà, M.; Woźniak, K.; Durka, K. Conference: IV Trobada de Joves Investigadors dels Països Catalans. Perpignan (FRA) 2016. Title: Synthesis of fused tricyclic systems by Rh(I)-catalysed [2+2+2] cycloaddition reactions Author: Daniel Cassú, Teodor Parella, Miquel Solà, Anna Pla-Quintana, Anna Roglans Conference: Simulations in Organic Chemistry (SimOC 2011). Vigo (ESP) 2011. Title: Phenanthrene vs. anthracene, pyrazine vs. pyridazine, and imidazole vs. pyrazole. An analysis of isomerization energies with the turn-upside-down methods Author: Solà, M.; El-Hamdi, M.; Bickelhaupt, F. M.; Poater, J. Conference: Methods and Applications of Computational Chemistry, (MACC-4). Lviv (UCR) 2011. Title: On the use of electronic delocalization indices of aromaticity in all-metal clusters Author: Solà, M.; Feixas, F.; Matito, E.; Poater, J. Conference: XII Congress and General Assembly of the International Union of Crystallography (IUCr). Madrid (ESP) 2011. Title: An account on multicenter bonding and its relationship with aromaticity Author: Matito, E.; Feixas, F.; Solà, M.; Ugalde, J. M. Conference: XXXVII Congreso de Químicos Teóricos de Expresión Latina (CHITEL o QUITEL 2011). Riviera Maya (MEX) 2011. Title: New approximation to the n-order reduced density matrix and its application to multicenter bond indices Author: Matito, E.; Feixas, F.; Solà, M.; Barroso, J. M.; Ugalde, J. M. Conference: Kekulé Seminar on Theoretical Studies in Aromaticity. Gant (BEL) 2011. Title: Electronic Delocalization in Archetypal Aromatic Compounds: Benzene, Al<sub>4</sub><sup>2-</sup> and C<sub>60</sub> and Related Species Author: Solà, M.; Feixas, F.; Matito, E.; Poater, J. Conference: Methods and applications of computational chemistry. Kiev (RUS) 2007. Title: Is the H···H interaction in phenanthrene responsible for its higher stability as compared to anthracene? Author: Solà, M.; Poater, J.; Bickelhaupt, F. M. Conference: XLI Congreso Mexicano de Química. México D.F. (MEX) 2006. Title: Does H•••H bonding in polycyclic aromatic hydrocarbons as predicted by the AIM theory exist? The case of biphenylene and phenanthrene Author: Solà, M.; Poater, J.; Bickelhaupt, F.M. Conference: Structural Organic Chemistry. Central European School on Physical Organic Chemistry. Wroclaw (POL) 2005. Title: Atoms in Molecules Analysis of the Electron Density Author: Solà, M. Conference: Evert Jan Baerends Symposium. Amsterdam (NLD) 2005. Title: Local Aromaticiy Quantified Using Electron Delocalization Measures. Comparison with other Criteria of Aromaticity Author: Solà, M.; Duran, M.; Matito, E.; Poater, J. Conference: Electronic Structure Principles and Applications (ESPA 2004). Valladolid (ESP) 2004. Title: Aromaticity quantified from the atoms in molecules delocalization indices Author: Solà, M.; Matito, E.; Duran, M.; Fradera, X.; Poater, J. Conference: XIX Reunió Anual de la Xarxa de Química Teòrica de Catalunya. Girona (ESP) 2003. Title: DFT QM/MM study on dinuclear-Cu(I)-complexes with hexaaza macrocyclic ligands Author: Robles, J.; Solà, M.; Llobet, A. Conference: I Congrés Internacional de la Publicació Electrònica. Barcelona (ESP) 1998. Title: WWW en la docència universitària Author: M. Solà Conference: X Reunió del Grup de Química Quàntica de Catalunya de l'Institut d'Estudis Catalans (IEC). Barcelona (ESP) 1994. Title: Desenvolupaments recents en semblança molecular quàntica: Fonaments teòrics Author: E. Besalú, J. Mestres, M. Solà, M. Duran i R. Carbó Conference: Summer School in Quantum Chemistry. Laredo (ESP) 1994. Title: A Theoretical Study of the CrO<sub>2</sub>F<sub>2</sub> Compound: What to do when Hartree-Fock Theory Fails? The success of Density Funcional Theory Author: M. Torrent, M. Solà and M. Duran
Conference: XXXVIII Reunión Bienal de la Real Sociedad Española de Química. (ESP) 2023. Title: SYNTHESIS OF HIGHLY FUNCTIONALIZED 1H-ISOINDOLES VIA A Rh(II)- CATALYZED CASCADE REACTION INVOLVING CARBENE/ALKYNE METATHESIS AND NITRILES Author: Àlex Díaz-Jiménez; Roger Monreal-Corona; Miquel Solà; Albert Poater; Anna Roglans; Anna Pla-Quintana Conference: Physical Organic Chemistry Gordon research conference: Analyzing, Understanding and Predicting Organic Reactivity. Holderness (USA) 2023. Title: The Aromatic Character of Cyclic Carbenes and Carbene-like Species in Their Lowest nπ* States Author: Proos Vedin, N.; Escayola, S.; Radenković, S.; Solà, M.; Ottosson, H. Conference: XIII International Symposium: Chemical Research at the Border Region. Tijuana (MEX) 2023. Title: Metallomimetic chemistry of boron and beryllium activating C-C and C-H bonds Author: Trujillo-González, D. E.; Solà, M.; Jiménez-Halla, J. O. C. Conference: 5th European conference on Metal-Organic Frameworks (MOFs) and Porous Materials. Granada (ESP) 2023. Title: Electron transfer in metal-organic framework with encapsulated C<sub>60</sub> fullerene Author: Stasyuk, O. A.; Stasyuk, A. J.; Solà, M.; Sharapa, D. I. Conference: The 5th International Symposium on the Synthesis and Application of Curved Organic π-Molecules and Materials (CURO π5) 2023. Prague (CZE) 2023. Title: Highly water soluble fullerenes for biological applications Author: Ma, Y.; Aroua, S.; Semivrazhskaya, O.; Liosi, K.; Yamakoshi, Y.; Osuna, S.; Solà, M.; Ramkrishna,S.; Rossi, A.; Kuzuya, A.; Spencer, N. D. Conference: 12th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC). Vancouver (CAN) 2022. Title: Taylor expansion allows straightforward prediction of reactivity induced by electric fields: 1D and 2D models Author: Besalú-Sala, P.; Solà, M.; Luis, J. M.; Torrent-Sucarrat, M. Conference: 12th Congress on Electronic Structure Principles and applications (ESPA2022). Vigo (ESP) 2022. Title: Reactivity of the superhalogen/superalkali ion encapsulating C60 fullerene Author: Gibu George; Anton J. Stasyuk; Miquel Solà Conference: 14th Girona Seminar. Girona (ESP) 2022. Title: Global and Local Aromaticity of (Sub)Phthalocyanines Author: Sílvia Escayola; Dariusz W. Szczepanik; Albert Poater; Miquel Solà; Eduard Matito Conference: Girona Seminar 2020. Girona (ESP) 2022. Title: Nido Cage···π and Cage<sup>-</sup>···Cage<sup>-</sup> Interactions: New Non-Covalent Interactions Author: Solà, M.; Poater, J.; Escayola, S.; Tu, D.; Yan, H.; Viñas, C.; Teixidor, F. Conference: 12th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC). Vancouver (CAN) 2022. Title: Molecular bowls as electron donors in photoinduced electron transfer reactions Author: Stasyuk, A. J.; Stasyuk, O. A.; Solà, M.; Voityuk, A. A: Conference: 25th IUPAC Conference on Physical Organic Chemistry (ICPOC25). Hiroshima (JPN) 2022. Title: The lowest nπ* states of common heteroaromatics: When and in what way are they aromatic? Author: Proos Vedin, N.; Escayola, S.; Randeković, S.; Solà, M.; Ottosson, H. Conference: 12th Congress on Electronic Structure Principles and Applications (ESPA). Vigo (ESP) 2022. Title: The Intriguing Aromaticity of (Sub)Phthalocyanines Author: Sílvia Escayola; Eduard Matito; Albert Poater; Miquel Solà Conference: XXXVIII Reunión Bienal de la Real Sociedad Española de Química. Granada (ESP) 2022. Title: Synthesis of highly functionalized 1H-isoindoles via a Rh(II)-catalyzed cascade reaction involving carbene alkyne/metathesis and nitriles Author: Díaz-Jiménez, A.; Monreal-Corona, R.; Solà, M.; Poater, A.; Roglans, A.; Pla-Quintana, A. Conference: Central European Conference on Photochemistry (CECP). Bad Hofgastein (AUT) 2022. Title: The lowest nπ* states of common heteroaromatics: When and in what way are they aromatic? Author: Proos Vedin, N.; Escayola, S.; Solà, M.; Ottosson, H. Conference: 19th International Symposium on Novel Aromatic Compounds (ISNA19). Warsaw (POL) 2022. Title: Anti(aromaticity) and electron transfer in π‐conjugated nano‐hoops Author: Gibu George; Olga A. Stasyuk; Alexander A. Voityuk; Anton J. Stasyuk; Miquel Solà Conference: @ESOR2021online Conference. Amsterdam (NLD) 2021. Title: Understanding the excited state aromaticity of pro-aromatic quinoidal compounds Author: Escayola, S.; Tonnelé, C.; Matito, E.; Poater, A.; Ottosson, H.; Solà, M.; Casanova, D. Conference: 2021 #RSCPoster Twitter Conference. Royal Society of Chemistry (ENG) 2021. Title: Guidelines for tuning the excited State Hückel-Baird hybrid aromatic character of pro-aromatic quinoidal compounds Author: Escayola, S.; Tonnelé, C.; Matito, E.; Poater, A.; Ottosson, H.; Solà, M.; Casanova, D. Conference: LatinXChem online conference. México DF (MEX) 2021. Title: Theoretical study of the Ligand-Borane Interaction Author: Trujillo-González, D. E.; Jiménez-Halla, J. O. C.; González García, G.; Hamlin, T. A.; Bickelhaupt, F. M.; Solà, M. Conference: RSEQ Symposium 2021. Madrid (ESP) 2021. Title: Synthesis of fused dihydroazepine derivatives of fullerenes by a Rh-catalyzed cascade process Author: Castanyer, C.; Artigas, A.; Roig, N.; Lledó, A.; Solà, M.; Pla-Quintana, A.; Roglans, A. Conference: Emerging concepts in solar energy conversion - from computation to implementation. Thuwal (SAU) 2020. Title: Do Carbon nano-onions Behave as Nanoscopic Faraday Cages? C60, C240, C60@C240 & Li+ Author: Jesús Antonio Luque Urrutia; Albert Poater; Miquel Solà Conference: 2020 #RSCPoster Twitter Conference. Royal Society of Chemistry (ENG) 2020. Title: Examining the Factors that Govern the Regioselectivity in Rhodium-Catalysed Alkyne Cyclotrimerization Author: Díaz-Jiménez, A.; Torres, O.; Fernández, M.; Pla-Quintana, A.; Roglans, A.; Solà, M. Conference: 26th International Symposium: Synthesis in Organic Chemistry. Cambridge (ENG) 2019. Title: Expeditious preparation of open-cage fullerene derivatives by rhodium(I)-catalyzed [2+2+2] cycloaddition reactions and their application in Perovskite solar cells Author: Artigas, A.; Castro, E.; Lledó, A.; Echegoyen, L.; Pla-Quintana, A.; Roglans, A.; Solà, M. Conference: First International Conference on Excited State Aromaticity and Antiaromaticity (ICESAA). Sigtuna (SWE) 2019. Title: Global and Local Aromaticity Reversals Between Singlet and Triplet States an Expanded Porphyrins Author: Escayola, S.; Szczepanik, D. W.; Poater, A.; Solà, M. Conference: 10th Triennal Congress of the International Society for Theoretical Chemical Physics. Tromso (NOR) 2019. Title: Is the Excited State Aromaticity a Driving Force for Planarization of Dibenzannelated 8&p.-Electron heterocycles? Author: Toldo, J.; El Bakouri, O.; Solà, M.; Norrby, P.-O.; Ottosson, H. Conference: Aromaticity 2018. Riviera Maya (MEX) 2018. Title: The effect of exocyclic substituents and π-system length on the electronic structure of Chichibabin diradicaloids Author: Escayola, S.; Callís, M.; Poater, A.; Solà, M. Conference: The 4th EMN Meeting on Computation and Theory. Donostia (ESP) 2018. Title: Diastereoisomerism in platinum(II) phosphino- and aminothiolato hydrido complexes Author: Polo, A.; Duran, J.; Poater, A.; Real, J.; Solà, M. Conference: Aromaticity 2018. Riviera Maya (MEX) 2018. Title: Excited state structures and aromaticity of dibenzannelated 8&p.-electron heterocyclic compounds Author: Toldo, J.; El Bakouri, O.; Feixas, F.; Solà, M.; Norrby, P.-O.; Ottosson, H. Conference: ESCB2. Oviedo (ESP) 2018. Title: the mechanism of acceptorless dehydrogenative coupling of nitriles and alcohols by a mn-pincer catalyst Author: Jesús A. Luque-Urrutia, Albert Poater, Miquel Solà Conference: ESPA 2018. Electronic Structure: Principles and Applications. Toledo (ESP) 2018. Title: The Baird rule in all its guises Author: Solà, M.; El Bakouri, O.; Matito, E.; Poater, J.; Feixas, F. Conference: Girona Seminar 2018. Girona (ESP) 2018. Title: Mechanism study of the water oxidation catalyst Ru 2,2'-bypyridine-6,6'-dicarboxilate (Ru(bda)(pic)<sub>2</sub>] Author: Luque-Urrutia; J. A.; Poater, A.; Solà, M. Conference: 27th IUPAC International Symposium on Photochemistry (PhotoIUPAC). Dublin (IRL) 2018. Title: Baird's and Clar's rules: a powerful combination to vindicate the triplet energies of polycyclic conjugated hydrocarbons Author: Ayub, R.; El Bakouri, O.; Jorner, K.; Solà, M.; Ottosson, H. Conference: ESPA 2018. Electronic Structure: Principles and Applications. Toledo (ESP) 2018. Title: Tuning Resonance Assisted Hydrogen Bond Strength by Increasing the Number of Fused Six-membered Rings Author: Simon, S.; Pareras, G.; Duran, M.; Solà, M. Conference: Aromaticity 2018. Riviera Maya (MEX) 2018. Title: Dithiopheno-bridged octaphyrins: Bicycloaromaticity or an expanded bicyclic aromatic hydrocarbon Author: El Bakouri, O.; Ayub, R.; Jorner, K.; Bultinck, P.; Solà, M.; Ottosson, H. Conference: Girona Seminar 2018. Girona (ESP) 2018. Title: The Baird rule in all its guises Author: Solà, M.; El Bakouri, O.; Matito, E.; Poater, J.; Feixas, F. Conference: XXXVI Biennial Meeting - Spanish Royal Society of Chemistry (RSEQ). Sitges (ESP) 2017. Title: Density functional study of the C60-acetylene [2+2+2] cycloaddition promoted by Wilkinson's catalyst Author: Artigas, A.; Lledó, A.; Pla-Quintana, A.; Roglans, A.; Solà, M. Conference: 11th European Conference on Theoretical and Computational Chemistry (11EUCO-TCC 2017). Barcelona (ESP) 2017. Title: Tuning the Strenght of the Resonance Assisted Hydrogen Bonds in o-Hydroxobenzaldehyde by substitution in the aromatic ring Author: Pareras, G.; Palusiak, M.; Solà, M.; Duran, M.; Simon, S.; Conference: 11th European Conference on Theoretical and Computational Chemistry (11EUCO-TCC 2017). Barcelona (ESP) 2017. Title: Density Functional Study of the C<sub>60</sub>-Acetylene [2+2+2] Cycloaddition Promoted by the Wilkinson's Catalyst Author: Artigas, A.; Lledó, A.; Pla-Quintana, A.; Roglans, A.; Solà, M. Conference: XXXVI Biennial Meeting - Spanish Royal Society of Chemistry (RSEQ). Sitges (ESP) 2017. Title: Tailoring Resonance Assisted Hydrogen Bonds Author: Simon, S.; Pareras, G.; Duran, M.; Solà, M. Conference: 11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC). Munich (DEU) 2017. Title: Baird's rule under the umbrella of Clar's rule: A means for tuning the triplet state energies Author: Ayub, R.; El Bakouri, O.; Jorner, K.; Solà, M.; Ottosson, H. Conference: QM/MM Methods and Applications: Probing Complex Systems in Biology and Materials. Manchester (GBR) 2017. Title: QM/MM study on the Cytochrome P450's capability to perform O-H abstraction reactions. Comparison of the reactivity of Compound I, Compound II, and protonated Compound II Author: Postils,V.; St-Andres, M.; Timmins, A.; Faponle, A. S.; Luis, J. M.; Solà, M.; de Visser, S. P. Conference: Tools for chemical bonding. Bremen (DEU) 2017. Title: From linear to circular polycyclic compounds: Aromaticity Study on Singlet and Triplet States Author: Escayola, S.; Szczepanik, D. W.; Poater, A.; Solà, M. Conference: XII Girona Seminar Predictive Catalysis: Transition-Metal Reactivity by Design. Girona (ESP) 2016. Title: Effect of the Substrate and Solvent into the Alkane-Hydroxylation Mechanism by Non-Heme Fev(Pytacn)=O Catalyst Author: Postils, V.; Company, A.; Solà, M.; Costas, M.; Luis, J. M. Conference: 251st ACS National Meeting. San Diego (USA) 2016. Title: Reaction mechanism of the rhodium-catalyzed arylation of fullerene with organoboron compounds in water Author: A. Poater, M. Solà, J. Martínez Conference: XXXIV GEQO Congress Organometallic Chemistry Group. Girona (ESP) 2016. Title: Enantioselective Rh(I)-carbenoid mediated cascade Author: Ò. Torres, T. Parella, M. Solà, A. Roglans, A. Pla-Quintana Conference: ESPA 2016. Electronic Structure: Principles and Applications. Castelló (ESP) 2016. Title: A DFT Study of the Selective Functionalization of Benzene by Carbene Insertion with Fe-Based Catalysts Author: Postils, V.; Conde, A.; Sabenya, G.; Rodríguez, M., Díaz-Requejo, M. M.; Pérez, P. J.; Costas, M.; Solà, M.; Luis, J. M. Conference: 21st International Mass Spectrometry Conference. Toronto (CAN) 2016. Title: The Rhodium-Catalyzed [2+2+2] Cycloaddition Reaction: A Mechanistic Study Author: Martí Fernández, Magda Parera, Anna Dachs, Miquel Solà, Anna Pla-Quintana, Anna Roglans Conference: ESPA 2016. Electronic Structure: Principles and Applications. Castelló (ESP) 2016. Title: Exploring Tridimensional Aromaticity In Small Metal Clusters Author: El Bakouri, O.; Feixas, F.; Poater, J.; Solà, M. Conference: 16th International Symposium on Novel Aromatic Compounds (ISNA-16). Madrid (ESP) 2015. Title: Computational Investigation of Enantiospecific Formation of Fulleropyrrolidines Author: Garcia-Borràs, M.; Osuna, S.; Houk, K. N.; Solà, M. Conference: 16th International Symposium on Novel Aromatic Compounds (ISNA-16). Madrid (ESP) 2015. Title: Aromaticity-based rules for predicting and understanding Bingel-Hirsch Derivatization of Endohedral Metallofullerenes Author: Garcia-Borràs, M.; Osuna, S.; Luis, J. M.; Echegoyen, L.; Solà, M. Conference: 16th International Symposium on Novel Aromatic Compounds (ISNA-16). Madrid (ESP) 2015. Title: Influence of the spin state in the aromaticity of fullerenes and endohedral metallofullerenes Author: El Bakouri, O.; Garcia-Borràs, M.; Osuna, S.; Luis, J. M.; Solà, M.; Conference: Spain-Japan Joint Symposium on Theoretical and Computational Chemistry of Complex Systems (ICIQ-FIFC). Tarragona (ESP) 2015. Title: Influence of the spin state in the aromaticity of fullerenes and endohedral metallofullerenes Author: Ouissam El-Bakouri; Marc Garcia-Borràs; Sílvia Osuna; Josep M. Luis; Miquel Solà Conference: XL International Summer School on Organic Chemistry 'A. Corbella'. Gargnano (ITA) 2014. Title: An efficient enantioselective access to sulfonated azacyclic frameworks through a rhodium(I)-carbenoid mediated cascade process Author: Ò. Torres, T. Parella, M. Solà, A. Roglans, A. Pla-Quintana Conference: XI Girona Seminar on Carbon, Metal and Carbon-Metal Clusters: From Theory to Applications. Girona (ESP) 2014. Title: A new mild synthetic route to N-arylated pyridazinones from aryldiazonium salts Author: Ouissam El Bakouri; Daniel Cassú; Miquel Solà; Teodor Parella; Anna Pla-Quintana; Anna Roglans Conference: International Symposium. Frontiers in Surface and Materials Science: Theory and Practice.. Barcelona (ESP) 2014. Title: A new mild synthetic route to N-arylated pyridazinones from aryldiazonium salts Author: Ouissam El Bakouri; Daniel Cassú; Miquel Solà; Anna Pla-Quintana; Anna Roglans Conference: XI Girona Seminar on Carbon, Metal, and Carbon-Metal Clusters: From Theory to Applications. Girona (ESP) 2014. Title: [4+2] and [2+2] Cycloaddition of Benzyne To Zig-Zag Single-Walled Carbon Nanotubes: The Effect of Curvature on Clar and Nonclar Nanotube Structures Author: Martínez, J. P.; Osuna, S.; Solà, M. Conference: 10th Triennial Congress of the World Association of Theoretical and Computational Chemists WATOC 2014. Santiago de Chile (CHL) 2014. Title: Design of drug transport nanodevices and a model for their interaction with proteins overexpressed in ovarian cancer Author: Díaz, E.; Solà, M.; Swart,M.; Robles, J. Conference: XI Girona Seminar on Carbon, Metal, and Carbon-Metal Clusters: From Theory to Applications. Girona (ESP) 2014. Title: Bridging hydrocarbon and boronhydride chemistries Author: Solà, M.; Poater, J.; Viñas, C.; Teixidor, F. Conference: XI Girona Seminar on Carbon, Metal, and Carbon-Metal Clusters: From Theory to Applications. Girona (ESP) 2014. Title: Effect of Metal Cations on Individual Hydrogen Bonds in Watson-Crick Base Pairs Author: Stasyuk ,O. A.; Szatyłowicz, H.; Krygowski, T. M.; Swart, M.; Solà, M. Conference: XI Girona Seminar on Carbon, Metal, and Carbon-Metal Clusters: From Theory to Applications. Girona (ESP) 2014. Title: Guidelines for the Influence of Metal Clusters on the Diels-Alder Regioselectivity of Ih-C80 Endohedral Metallofullerenes Author: Garcia-Borràs, M.; Osuna, S.; Luis, J.M.; Swart, M.; Solà, M. Conference: Small Molecule NMR Conference (SMASH 2013). Santiago de Compostela (ESP) 2013. Title: NMR Chemical Shifts in Nucleotides: Effect of Mg2+ coordination at various sites Author: Castro, A.; Armangué, L.; Fonseca Guerra, C.; Swart, M.; Wijmenga, S. S.; C.W. Hilbers; Solà, M.; Bickelhaupt, F. M. Conference: 15th International Conference on Density Functional Theory and its Applications. Durham (GBR) 2013. Title: Maximum aromaticity as the driving force that determines the geometry and reactivity of the endohedral metallofullerenes Author: Garcia-Borràs, M.; Osuna, S.; Swart, M.; Solà, M.; Luis, J. M. Conference: 15th International Conference on Density Functional Theory and its Applications. Durham (GBR) 2013. Title: Inverse sandwich structure in E<sub>2</sub>P<sub>4</sub> (E= Al, Ga, In, Tl) complexes: Stability and bonding analysis Author: Abril C. Castro, Edison Osorio, José Luis Cabellos, Erick Cerpa, Eduard Matito, Miquel Solà, Marcel Swart, Gabriel Merino Conference: 15th International Conference on Density Functional Theory and its Applications. Durham (GBR) 2013. Title: Harmonium as a calibration and development tool in DFT Author: E.; Matito, E.; Mayorga, M. R.; Cioslowski, J.; Solà, M. Conference: EuroBoron6. Radziejowice (POL) 2013. Title: Fused Aromatic/Metallacarborane Molecules, Real Alternative to Ferrocene for Molecular Electronics Author: Arderiu, V. S.; Olid-Britos, D.; Poater, J.; Solà, M.; Viñas, C.; Teixidor, F. Conference: 15th International Conference on Density Functional Theory and its Applications. Durham (GBR) 2013. Title: Guidelines for the Influence of Metal Clusters on the Diels-Alder Regioselectivity of I<sub>h</sub>-C<sub>80</sub> Endohedral Metallofullerenes Author: Garcia-Borràs, M.; Osuna, S.; Luis, J. M.; Swart, M.; Solà, M. Conference: XXXIX Congreso de Químicos Teóricos de Expresión Latina (CHITEL o QUITEL 2013). Granada (ESP) 2013. Title: Design of anticancer devices using single wall carbon nanotubes functionalized with cisplatin derivatives through density funcional calculations Author: Díaz, E.; Jiménez-Halla, O.; García Revilla, M.; Swart, M.; Solà, M.; Robles, J. Conference: 14Th Tetrahedron Symposium. Viena (AUT) 2013. Title: The rhodium-catalyzed [2+2+2] cycloaddition reaction: a mechanistic study Author: E. Haraburda, M. Parera, A. Dachs, M. Solà, A. Pla-Quintana, A. Roglans. Conference: 4th Congress of the European Association for Chemical and Molecular Sciences (EuCheMS). Praga (CZE) 2012. Title: Electrides, Nonlinear Optical Properties and vibrations Author: Garcia-Borràs, M.; Solà, M.; Luis, J. M.; Kirtman, B. Conference: X Girona Seminar on Theoretical and Computational Chemistry for the Modeling of Biochemical Systems: From Theory to Applications. Girona (ESP) 2012. Title: The Electronic Structure of Electrides: QTAIM and ELF Analyses Author: Postils, V.; Matito, E.; Garcia-Borràs, M.; Solà, M.; Luis, J. M. Conference: ESPA 2012. Electronic Structure: Principles and Applications. Barcelona (ESP) 2012. Title: Aromaticity in all-metal clusters and excited states Author: Solà, M.; Feixas, F.; Matito, E.; Poater, J. Conference: 4th Congress of the European Association for Chemical and Molecular Sciences (EuCheMS). Praga (CZE) 2012. Title: Multicenter Bond Index: a versatile tool to characterize electron delocalization and aromaticity Author: Matito, E.; Feixas, F.; Solà, M.; Barroso, J. M.; Ugalde, J. M. Conference: X Girona Seminar on Theoretical and Computational Chemistry for the Modeling of Biochemical Systems: From Theory to Applications. Girona (ESP) 2012. Title: Electrochemical Control of the Regioselectivity in the Exohedral Functionalization of C<sub>60</sub>. The Role of Aromaticity Author: Garcia-Borràs, M.; Osuna, S.; Luis, J. M.; Swart, M.; Solà, M. Conference: X Girona Seminar on Theoretical and Computational Chemistry for the Modeling of Biochemical Systems: From Theory to Applications. Girona (ESP) 2012. Title: The turn-upside-down approach applied to the analysis of the isomerization energies of 1,2-/1,3-diazacyclobutadiene, pyrazole/imidazole, and pyridazine/pyrimidine Author: El-Hamdi, M.; Tiznado, W.; Poater, J.; Solà, M. Conference: 4th Congress of the European Association for Chemical and Molecular Sciences (EuCheMS). Praga (CZE) 2012. Title: Controling the regioselectivity in the exohedral functionalization of fullerenes by successive fullerene reductions Author: Garcia-Borràs, M.; Osuna, S.; Luis, J. M.; Swart, M.; Solà, M. Conference: 70th Birthday Symposium of Professor Joe Dannenberg. New York (USA) 2011. Title: Aromaticity and Electronic Delocalization in All-Metal Clusters with Single, Double, and Triple Aromatic Character Author: Solà, M.; Feixas, F.; Matito, E.; Poater, J. Conference: Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists WATOC 2011. Santiago de Compostela (ESP) 2011. Title: DFT Study of Thermal 1,3-Dipolar Cycloaddition Reactions Between Alkynyl Metal(0) Fischer Carbene Complexes and 3H-1,2-Dithiole-3-Thione Derivatives Author: Andrada, D. M.; Granados, A. M.; Solà, M.; Fernández, I. Conference: Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists WATOC 2011. Santiago de Compostela (ESP) 2011. Title: On the Relative Stability of the XAAX and X2A2 isomers (X = H, F, Cl, Br, I, Li, Na; and A = S, O) Author: El-Hamdi, M.; Poater, J.; Bickelhaupt, F. M.; Solà, M. Conference: 9th Triennial Congress of the World Association of Theoretical and Computational Chemists WATOC 2011. Santiago de Compostela (ESP) 2011. Title: Fine-Tunable Metalloporphyrinic Nanocapsules as Hosts for Fullerenes Author: Osuna, S.; Garcia-Borràs, M.; Garcia-Simon, C.; Costas, M.; Solà, M.; Swart, M.; Ribas, X.; Luis, J. M. Conference: 33rd Annual meeting of the Association for Chemoreception Sciences (AChemS). St. Pete Beach (USA) 2011. Title: Molecular Modeling of the Human T1R2 Venus Fly Trap Domain Author: Osuna, S.; Swart, M.; Solà, M.; Roura, E. Conference: Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists WATOC 2011. Santiago de Compostela (ESP) 2011. Title: Dispersion Corrections Are Essential for the Study of Chemical Reactivity in Fullerenes Author: Osuna, S.; Houk, K. N.; Swart, M.; Solà, M. Conference: 9th Triennial Congress of the World Association of Theoretical and Computational Chemists WATOC 2011. Santiago de Compostela (ESP) 2011. Title: Exploring the Exohedral Reactivity of the Titanium Carbide Endohedral Metallofullerene: Ti2C2@D3h-C78 Author: Garcia-Borràs, M.; Osuna, S.; Swart, M.; Luis, J. M.; Solà, M. Conference: Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists WATOC 2011 (The Poster was awarded with the WATOC Poster P. Santiago de Compostela (ESP) 2011. Title: Aromaticity and Electronic Delocalization in All-Metal Clusters with Single, Double, and Triple Aromatic Character Author: Feixas, F.; Matito, E.; Poater, J.; Solà, M. Conference: IX Girona Seminar on Electron Density, Density Matrices and Density Functional Theory. Girona (ESP) 2010. Title: Reactivity and regioselectivity of noble gas endohedral fullerenes Ng@C<sub>60</sub> and Ng<sub>2</sub>@C<sub>60</sub> (Ng = He – Xe) Author: Osuna, S.; Swart, M.; Solà, M. Conference: Taste and Food Acceptance, Chemistry and Molecular Biology of Sweet, Bitter and Umami Tastes. Procida (ITA) 2010. Title: The extracellular main ligand binding site of hT1R2 prefers cationic sweeteners Author: Swart, M.; Osuna, S.; Solà, M.; Roura, E. Conference: IX Girona Seminar on Electron Density, Density Matrices and Density Functional Theory. Girona (ESP) 2010. Title: Nonlinear optical properties partitioning analysis Author: Garcia-Borras, M.; Solà, M.; Kirtman, B.; Luis, J. M. Conference: 3rd EuCheMS Chemistry Congress Chemistry. Nünrberg (DEU) 2010. Title: A Computational study on the cross-coupling reaction mechanism of a well-defined aryl-Cu<sup>III</sup> and a carboxylic acid Author: Canta, M.; Solà, M:; Casitas, A.; Stahl, S. S.; Costas, M.; Ribas, X. Conference: IX Girona Seminar on Electron Density, Density Matrices and Density Functional Theory. Girona (ESP) 2010. Title: The electron localization function at the correlated level: a natural orbital formulation Author: Feixas, F.; Matito, E.; Duran, M.; Solà, M.; Silvi, B. Conference: XIII Reunión Bienal de Química Orgánica. Murcia (ESP) 2010. Title: Estudios teóricos en reacciones de cicloadición [2+2+2] catalizadas por Rh Author: Dachs, A.; Roglans, A.; Solà, M. Conference: IX Girona Seminar on Electron Density, Density Matrices and Density Functional Theory. Girona (ESP) 2010. Title: NMR Shieldings by all-Round density functional(SSB-D) Author: Armangué, L.; Swart, M.; Solà, M. Conference: Theoretical Chemistry: Modeling Reactivity From Gas Phase To Biomolecules And Solids. Celebrating 25 Years of The Theoretical Chemistry Network of Cat. Barcelona (ESP) 2009. Title: Electron delocalization and aromaticity measures in organic and inorganic compounds Author: Feixas, F.; Matito, E.; Jiménez-Halla, J. O. C.; Poater, J.; Solà, M. Conference: 13th International Congress of Quantum Chemistry (ICQC). Helsinki (FIN) 2009. Title: On the mechanism of the superoxide dismutation involving fullerene derivatives Author: Osuna, S.; Swart, M.; Solà, M. Conference: 13th International Congress of Quantum Chemistry (ICQC). Helsinki (FIN) 2009. Title: Electron delocalization and aromaticity measures in organic and inorganic compounds Author: Feixas, F.; Matito, E.; Jiménez Halla, J. O. C.; Poater, J.; Solà, M. Conference: XVII Simposio Nacional de Química Orgánica (SINAQO). Mendoza (ARG) 2009. Title: Estudio computacional de la aminólisis de complejos de Carbeno de Fischer Author: Andrada, D. M.; Jiménez-Halla, J. O. C.; Solà, M. Conference: 13th International Symposium on Novel Aromatic Compounds. Luxembourg (LUX) 2009. Title: A critical assessment on the performance of some aromaticity indices Author: Poater, J.; Feixas, F.; Matito, E.; Solà, M. Conference: 10th Latin American Conference on Physical Organic Chemistry (CLAFQO-10). Florianópolis (BRA) 2009. Title: Mechanism of the aminolysis of fischer carbene complexes: A computational and experimental study Author: Andrada, D. M.; Jiménez-Halla, J. O. C.; Zoloff Michoff, M. E.; Granados, A. M.; Solà, M. Conference: 13th International Congress of Quantum Chemistry (ICQC). Helsinki (FIN) 2009. Title: Rhodium(I)-catalysed intramolecular [2+2+2] cyclotrimerisations of 15-, 20-, and 25-membered azamacrocycles: experimental and theoretical mechanistic studies Author: Dachs, A.; Torrent, A.; Roglans, A.; Parella, T.; Osuna, S.; Solà, M. Conference: 10th Tetrahedron Symposium: Challenges in Organic and Biorganic Chemistry. Paris (FRA) 2009. Title: Thermally induced cycloaddition of triynic and enediynic macrocicles Author: González, I.; Pla-Quintana, A.; Roglans, A.; Dachs, A.; Solà, M.; Parella, T.; Farjas, J.; Roura, P.; Lloveras, V.; Vidal, J. Conference: Theoretical Chemistry: Modeling Reactivity From Gas Phase To Biomolecules And Solids. Celebrating 25 Years of The Theoretical Chemistry Network of Cat. Barcelona (ESP) 2009. Title: On the mechanism of the superoxide dismutation involving fullerene derivatives Author: Osuna, S.; Swart, M.; Solà, M. Conference: Theoretical Chemistry: Modeling Reactivity From Gas Phase To Biomolecules And Solids. Celebrating 25 Years of The Theoretical Chemistry Network of Cat. Barcelona (ESP) 2009. Title: Rhodium(I)-Catalysed Intramolecular [2+2+2] Cyclotrimerisations of 15-, 20-, and 25-Membered Azamacrocycles: Experimental and Theoretical Mechanistic Studies Author: Dachs, A.; Torrent, A.; Roglans, A.; Osuna, S.; Solà, M. Conference: 38th International Conference on Coordination Chemistry 2008 (ICCC38). Jerusalem (ISR) 2008. Title: Fischer Carbene Chemistry and the Dötz Reaction: showing the importance of a regioselectivity ruled by haptotropic rearrangements Author: Jimenez Halla, J.O.C.; Robles, J.; Solà, M. Conference: Gordon Research Conference on 'Metals in Medicine'. Andover, NH (USA) 2008. Title: Chemical reactivity of C<sub>78</sub> (metallo)fullerenes: regioselectivity changes induced by X<sub>3</sub>N (X=Sc,Y) encapsulation Author: Osuna, S.; Swart, M.; Solà, M. Conference: International Symposium on Theoretical Biochemistry & Methods and Applications. Stockholm (SWE) 2008. Title: Theoretical Study of the reaction mechanism of a biomimetic complex of tyrosinase Author: Güell, M.; Luis, J.M.; Solà, M.; Siegbhan, P.E.M. Conference: 37th Inorganic Reaction Mechanisms Group Meeting (37IRMGM). Barcelona (ESP) 2008. Title: Importance of the basis set for spin-state energetics of iron complexes Author: Güell, M.; Luis, J.M.; Solà, M.; Swart, M. Conference: 37th Inorganic Reaction Mechanisms Group Meeting (37IRMGM). Barcelona (ESP) 2008. Title: Theoretical Study of the Thermodynamics and Kinetics of several Wilkinson-Catalyzed Cyclotrimerization reactions Author: Dachs, A.; Osuna, S.; Torrent, A.; Roglans, A.; Solà, M. Conference: 37th Inorganic Reaction Mechanisms Group Meeting (37IRMGM). Barcelona (ESP) 2008. Title: Is the aromaticity of the benzene ring in the (&h.<sup>6 </sup>-C<sub>6</sub>H<sub>6</sub>)Cr(CO)<sub>3</sub> complex larger than that of the isolated benzene molecule? Author: Solà, M.; Feixas, F.; Jimenez Halla, J.O.C.; Matito, E.; Poater, J. Conference: ChemOnTubes 2008. International Meeting on the Chemistry of Nanotubes: science and applications. Zaragoza (ESP) 2008. Title: Fluorination reaction mechanisms on carbon nanotubes Author: Osuna, S.; Torrent-Sucarrat, M.; Ewels, C.P.; Geerlings, P.; Solà, M; van Lier, G. Conference: 37th Inorganic Reaction Mechanisms Group Meeting (37IRMGM). Barcelona (ESP) 2008. Title: Reactivity Profile of C<sub>78</sub> fullerenes: Influence of Sc<sub>3</sub>N encapsulation Author: Osuna, S.; Swart, M.; Campanera, J.M.; Poblet, J.M.; Solà, M. Conference: 12th International Conference on the Applications of Density Functional Theory (DFT'07). Amsterdam (NLD) 2007. Title: DFT theoretical study of the retro-cycloaddition reaction of Pyrrolidino-[C60]fullerene Author: Osuna, S.; Solà, M.; Altable, M.; Filippone, S.; Martín-Domenech, A.; Martín, N. Conference: 12th International Conference on the Applications of Density Functional Theory (DFT). Amsterdam (NLD) 2007. Title: Analysis of the effect of changing the a<sub>o</sub> parameter of the B3LYP hybrid functional on the ground and low-lying states of Cu-O<sub>2</sub> doublet Author: Güell, M.; Solà, M.; Luis, J.M.; Rodríguez-Santiago, L.; Sodupe, M. Conference: 12th International Conference on the Applications of Density Functional Theory. Amsterdam (NLD) 2007. Title: Electronic Aromaticity Indexes From DFT Calculations Author: Matito, E.; Feixas, F.; Cioslowski, J.; Poater, J.; Solà, M. Conference: Chirality at the Nanoscale. Sitges (Barcelona) (ESP) 2007. Title: A Red-Ox Controlled Molecular Flipper Based On A Chiral Cu Complex Author: Company, A.; Güell, M.; Popa, D.; Benet-Buchholz, J.; Parella, T.; Fontrodona, X.; Llobet, A.; Ribas, X.; Solà, M.; Costas, M.; Luis, J.M Conference: Faraday Discussions 135. Chemical Concepts of Quantum Mechanics.. Manchester (ENG) 2006. Title: Electronic analysis of the conjugation and hyperconjugation effects Author: Feixas, F.; Matito, E.; Poater, J.; Solà, M. Conference: 6ª Reunión Científica Plenaria de Química del Estado Sólido (QIES’06). Barcelona (ESP) 2006. Title: Discriminación atropoisomérica en complejos de RuII con ligandos quirales de tipo oxazolínico Author: Sala, X.; Rodríguez, M.; Romero, I.; Llobet, A.; Poater, A.; Solà, M.; Duran, M. Conference: Faraday Discussions 135. Chemical Concepts of Quantum Mechanics. Manchester (ENG) 2006. Title: Tuning Aromaticity in Trigonal Magnesium Clusters Author: Matito, E.; Jimenez Halla, J.O.C.; Blancafort, L.; Robles, J.; Solà, M. Conference: Chemical Reactivity. A three day International Conference on Theoretical Aspects of Reactivity. Brusel·les (BEL) 2006. Title: Thermal Intramolecular Cycloadditions of Fuller-1,6-enynes: A theoretical study Author: Güell, M.; Solà, M.; Altable, M.; Filippone, S.; Martín-Domenech, A.; Martín, N. Conference: Chemical Reactivity. A three day International Conference on Theoretical Aspects of Reactivity. Brusel·les (BEL) 2006. Title: Tuning Aromaticity in Trigonal Magnesium Clusters Author: Matito, E.; Jimenez Halla, J.O.C.; Blancafort, L.; Robles, J.; Solà, M. Conference: Chemical Reactivity. A three day International Conference on Theoretical Aspects of Reactivity. Brusel·les (BEL) 2006. Title: Hydrogen-hydrogen bonding in planar biphenyl, predicted by Atoms-in-Molecules theory, does not exist Author: Poater, J.; Solà, M.; Bickelhaupt, F.M. Conference: Quantum Chemistry in Belgium, 7th Edition (QCB7). Mons-Hainaut (BEL) 2006. Title: Global hardness evaluation using an approximated hardness kernel Author: Torrent-Sucarrat, M.; Salvador, P.; Geerlings, P.; Solà, M. Conference: Faraday Discussion 135. Chemical Concepts from Quantum Mechanics. Manchester (ENG) 2006. Title: The hardness kernel as the basis for global and local reactivity indexes Author: Torrent-Sucarrat, M.; Salvador, P.; Solà, M.; Geerlings, P. Conference: Chemical Reactivity. A three day International Conference on Theoretical Aspects of Reactivity. Brusel·les (BEL) 2006. Title: Mechanism of the insertion of molecular oxygen in hexaaza macrocyclic dinuclear complexes Author: Poater, A.; Ribas, X.; Costas, M.; Duran, M.; Llobet, A.; Solà, M. Conference: Experiment & Theory in Transition Metal Chemistry: a meeting point. Bellaterra (ESP) 2006. Title: A Red-ox Controlled Molecular Flipper Based on a Chiral Cu Complex Author: Güell, M.; Company, A.; Popa, D.; Benet-Buchholz, J.; Parella, T.; Fontrodona, X.; Llobet, A.; Ribas, X.; Solà, M.; Costas, M.; Luis, J.M. Conference: NWO/CW Congress of Theory and Spectroscopy. Lunteren (NLD) 2006. Title: Hydrogen-hydrogen bonding in planar biphenyl, predicted by atoms-in-molecules theory, does not exist Author: Poater, J.; Solà, M.; Bickelhaupt, F.M. Conference: Chemical Reactivity. A three day International Conference on Theoretical Aspects of Reactivity. Brusel·les (BEL) 2006. Title: The Hardness Kernel as the Basis for Global and Local Reactivity Indexes Author: Torrent-Sucarrat, M.; Salvador, P.; Solà, M.; Geerlings, P. Conference: International Conference of Computational Methods in Sciences and Engineering (ICCMSE05). Loutraki (GRC) 2005. Title: On the validation of generally accepted aromaticity parameters in inorganic systems Author: Jimenez Halla, J.O.C.; Matito, E.; Robles, J.; Solà, M. Conference: 11th International Conference on the Applications of Density Functional Theory in Chemistry and Physics. Ginebra (CHE) 2005. Title: The failure of the minimum polarizability principle in vibrational motions as an indicator of local aromaticity Author: Torrent-Sucarrat, M.; Luis, J.M.; Solà, M. Conference: 11th International Conference on the Applications of Density Functional Theory in Chemistry and Physics (DFT2005). Ginebra (CHE) 2005. Title: Selective bond activation in aromatic systems by transition metals Author: Poater, A.; Ribas, X.; Xifra, R.; Duran, M.; Llobet, A.; Solà, M. Conference: Reunión de la xarxa temàtica de catàlisi homogènia amb metalls de transició. Tarragona (ESP) 2005. Title: Síntesi, caracterització estructural, discriminació atropoisomèrica i activitat catalítica de nous complexos de ruteni amb lligands oxazolínics Author: Llobet, A.; Plantalech, E.; Poater, A.; Rodríguez, M.; Romero, I.; Sala, X.; Serrano, I.; Solà, M. Conference: 11th International Conference on the Applications of Density Functional Theory in Chemistry and Physics. Ginebra (CHE) 2005. Title: An Aromaticity Analysis of Lithium-Cation/&p. Complexes of Aromatic Systems Author: Güell, M.; Poater, J.; Luis, J.M.; Mó, O.; Yáñez, M.; Solà, M. Conference: 9th International Symposium Activation of Dioxygen and Homogeneous Catalytic Oxidation (ADHOC 2005). Colonia (DEU) 2005. Title: Structurally related Biomimetic Dinuclear Cu Complexes Yielding Different Oxygenated Cu2O2 species With Different Intramolecular Aromatic Hydroxylation Reactivity Author: Company, A.; Ribas, X.; Poater, A.; Solà, M.; Mahía, J.; Costas, M.; Llobet, A. Conference: Recent advances in catalysis (RAC) 2005. Rennes (FRA) 2005. Title: Synthesis, structural characterization, atropisomeric discrimination and catalytic activity of new ruthenium complexes containing chiral oxazoline ligands Author: Llobet, A.; Mola, J.; Parella, T.; Plantalech, E.; Poater, A.; Rodríguez, M.; Romero, I.; Sala, X.; Serrano, I.; Solà, M. Conference: Molecular Crystal Engineering. EuroConference on Evaluations and Predictions of Solid State Materials Properties. Helsinki (FIN) 2005. Title: Theoretical Characterization of the Reactivity of the Copper Clusters Cu<sub>n</sub> (n=1-9) with CO Author: Poater, A.; Jaque, P.; Duran, M.; Toro-Labbé, A.; Solà, M. Conference: Fifth Congress of the International Society for Theoretical Chemical Physics. New Orleans (USA) 2005. Title: Validation of the energy profile of a molecular dimer using the hardness profile Author: Duran, M.; Torrent-Sucarrat, M.; Luis, J.M.; Solà, M. Conference: GECOM-CONCOORD 2004 (Groupe d’Etude en Chimie Organométallique-Concentration en Chimie de Coordination). Bayonne-Anglet-Biarritz (FRA) 2004. Title: Diastereoisomerism in platinum(II) 2-phosphino and 2-aminothiolato complexes Author: Duran Carpintero, J.; Polo, A.; Real, J.; Poater, A.; Solà, M.; Benet-Buchholz, J. Conference: International Conference on Electronic Structure: Principles and Applications ESPA 2004. Valladolid (ESP) 2004. Title: Is the NICS index a good indicator of local aromaticity in pyracylene? Author: Poater, J.; Viglione, R.G.;Zanasi, R.; Solà, M. Conference: EURESCO Conference on New Theoretical and Spectroscopical Approaches to Inorganic Chemistry Problems. Sant Feliu de Guíxols (ESP) 2004. Title: Mechanism of the activation of C-H bonds in aromatic systems by Cu Author: Poater, A.; Ribas, X.; Xifra, R.; Duran, M.; Llobet, M.; Solà, M. Conference: International Conference on Electronic Structure: Principles and Applications ESPA 2004. Valladolid (ESP) 2004. Title: Ground and low-lying states of Cu<sup>2+</sup>-H<sub>2</sub>O. A difficult case for density functional methods Author: Poater, J.; Solà, M.; Rimola, A.; Rodríguez-Santiago, L.; Sodupe, M. Conference: Conference in the Honor of Prof. Nicholas C. Handy: Molecular Quantum Mechanics. Cambridge (GBR) 2004. Title: Activation of C-H aromatic bonds by transition metals Author: Poater, A.; Ribas, X.; Xifra, R.; Duran, M.; Llobet, A.; Solà, M. Conference: GECOM-CONCOORD 2004 (Groupe d’Etude en Chimie Organométallique-Concentration en Chimie de Coordination). Bayonne-Anglet-Biarritz (FRA) 2004. Title: Synthesis, structural characterization and atropisomeric discrimination of new ruthenium complexes containing chiral oxazoline ligands Author: Llobet, A.; Plantalech, E.; Poater, A.; Rodríguez, M.; Romero, I.; Sala, X.; Serrano, I.; Solà, M. Conference: EURESCO Conference on New Theoretical and Spectroscopical Approaches to Inorganic Chemistry Problems. Sant Feliu de Guíxols (ESP) 2004. Title: Electronic and structural effects in the activation of O<sub>2</sub> by biomimetic dinuclear copper macrocyclic complexes Author: Poater, A.; Costas, M.; Ribas, X.; Xifra, R.; Company, A.; Duran, M.; Llobet, A.; Solà, M. Conference: XX Reunió de la Xarxa de Química Teòrica de Catalunya. Barcelona (ESP) 2004. Title: Estudi de l’aromaticitat local dels anells de sis membres del piraciclè Author: Poater, A.; Viglione, R.G.; Zanasi, R.; Solà, M. Conference: V Congreso Internacional de Química e Ingeniería Química. La Habana (CUB) 2004. Title: Theoretical study of the 1,3-dipolar cycloaddition of azomethyne ylides bearing an 1,4-dihydropyridine ring to [60]fullerene Author: Alvarez, A.; Ochoa, E.; Suárez, M.; Verdecia, Y.; Martín, N.; Seoane, C.; Solà, M. Conference: XX Reunió de la Xarxa de Química Teòrica de Catalunya. Barcelona (ESP) 2004. Title: Mechanism of the activation of C-H bonds in aromatic systems by mu-phenoxo-mu-hydroxo complexes Author: Poater, A.; Costas, M.; Ribas, X.; Xifra, R.; Duran, M.; Llobet, A.; Solà, M. Conference: 8th Summer School of Quantum Chemistry and Molecular Properties. Sostrup (DMK) 2004. Title: Electron sharing indexes for correlated calculations Author: Matito, E.; Duran, M.; Solà, M. Conference: XX Reunió de la Xarxa de Química Teòrica de Catalunya. Barcelona (ESP) 2004. Title: Aromaticitat local de [n]acens, [n]fenacens i [n]helicens Author: Portella, G.; Poater, J.; Duran, M.; Bofill, J.M.; Alemany, P.; Solà, M. Conference: Faraday Discussion 124: Quantum Inorganic Chemistry. York (GBR) 2003. Title: Mechanism of the C-H bond activation in aromatic systems by µ-phenoxo-µ-hydroxo complexes Author: Poater, A.; Costas, M.; Ribas, X.; Xifra, R.; Duran, M.; Llobet, A.; Solà, M. Conference: 10th International Conference on the Applications of Density Functional Theory in Chemistry and Physics. Brusel·les (BEL) 2003. Title: Hardness Profile as an indicator of wrong stationary points Author: Torrent-Sucarrat, M.; Luis, J.M.; Duran, M.; Solà, M. Conference: 10th International Conference on the Applications of Density Functional Theory in Chemistry and Physics 2003. Brusel·les (BEL) 2003. Title: A computational chemistry study of single and multiple addition to C<sub>60</sub> Author: Cases, M.; Van Lier, G.; Geerlings, P.; Duran, M.; Solà, M. Conference: International Conference on Electronic Structure: Principles and Applications (ESPA 2002). Sevilla (ESP) 2002. Title: Activation of C-H bonds in aromatic systems by mu-phenoxo-mu-hydroxo complexes Author: Poater, A.; Ribas, X.; Xifra, R.; Duran, M.; Llobet, A.; Solà, M. Conference: NanoteC'02. Brighton (GBR) 2002. Title: Ab initio study of the reactivity of C<sub>60</sub>HR and C<sub>60</sub>CHR derivatives Author: Cases, M.; Van Lier, G.; Duran, M.; Solà, M.; Geerlings, P. Conference: X Jornadas de Fisicoquímica y Técnicas Intrumentales. Enseñanza de la Química Física en Farmacia, Ciencias Químicas, Biológicas y del Medio Ambiente e. Salamanca (ESP) 2002. Title: Pirámide conceptual virtual: Trabajos preparatorios Author: Simon, S.; Miró, J.; Besalú, E.; Duran, M.; Martí, J.; Solà, M. Conference: International Conference on Electronic Structure: Principles and Applications (ESPA 2002). Sevilla (ESP) 2002. Title: Deprotonation of C<sub>60</sub>HR and C<sub>60</sub>CHR, a chemical and physical properties study Author: Cases, M.; Van Lier, G.; Duran, M.; Solà, M.; Geerlings, P. Conference: International Conference on Electronic Structure: Principles and Applications (ESPA 2002). Sevilla (ESP) 2002. Title: A New indicator of aromaticity based on the atoms in molecules delocalization index. Application to bowl-shaped polycyclic aromatic hydrocarbons Author: Solà, M.; Poater, J.; Duran, M.; Fradera, X. Conference: International Conference on Electronic Structure: Principles and Applications (ESPA 2002). Sevilla (ESP) 2002. Title: Topological analysis of the electronic rearrangements along the reaction path by means of the ELF and AIM techniques Author: Poater, J.; Solà, M.; Fradera, X.; Duran, M.; Polo, V. Conference: 2nd Quantum Bioinorganic Chemistry Conference (QBIC). Örenas Castle (SWE) 2002. Title: Theoretical study of the activation of C-H bonds in aromatic systems by transition metals Author: Poater, A.; Ribas, X.; Xifra, R.; Duran, M.; Llobet, A.; Solà, M. Conference: International Conference on Electronic Structure: Principles and Applications (ESPA 2002). Sevilla (ESP) 2002. Title: An Ab Initio study on the effect of the basis functions and the electronic correlation in the nonlinear optical properties (NLO) Author: Torrent-Sucarrat, M.; Solà, M.; Duran, M.; Luis, J. M.; Kirtman, B. Conference: QBIC-2. 2nd Quantum Bioinorganic Chemistry Conference. Örenas castle (SWE) 2002. Title: Theoretical study of the activation of C-H bonds in aromatic systems by transition metals Author: Poater, A.; Ribas, X.; Xifra, R.; Duran, M.; Llobet, A.; Solà, M. Conference: International Conference on Electronic Structure: Principles and Applications (ESPA 2002). Sevilla (ESP) 2002. Title: Analysis of the carbon-lithium electron pair bond in CH<sub>3</sub>Li and (CH<sub>3</sub>Li)<sub>4</sub> systems by using the ELF and AIM methods Author: Matito, E.; Poater, J.; Fradera, X.; Duran, M.; Solà, M. Conference: 27th Congrès des Chimistes Theóriciens d'Expression Latine (CHITEL). Toulousse (FRA) 2001. Title: Theoretical studies of diels-alder cycloadditions to C<sub>60 </sub> using hybrid methods Author: Cases, M.; Cavallo, L.; Irle, S.; Morokuma, K.; Duran, M.; Solà, M. Conference: 9th International Conference on the Applications of the Density Functional Theory in Chemistry and Physics. San Lorenzo de El Escorial (ESP) 2001. Title: Effect of the variation of the Becke3-LYP parameters on physicochemical properties Author: Poater, J.; Robles, J.; Duran, M.; Solà, M. Conference: International symposium in honor of Prof. Juan Bertrán: electronic structure and chemical reactivity. Barcelona (ESP) 2001. Title: A theoretical study of steric and electronic effects in the rhodium catalyzed carbonylation reactions Author: Cavallo, L.; Solà, M. Conference: International Simposium in Honor of Prof. Juan Bertrán. Electronic Structure and Chemical Reactivity (ESCR'01). Bellaterra (Barcelona) (ESP) 2001. Title: Do the maximum hardness and minimum polarizability principles for non-totally symmetric vibrations always hold? Author: Torrent-Sucarrat, M.; Luis, J.M.; Duran, M.; Solà, M. Conference: European Summer School in Quantum Chemistry (ESQC'01). Lund (SWE) 2001. Title: Simple rules to discern if a molecule will have nontotally symmetric vibrations that break the minimum polarizability principles Author: Torrent-Sucarrat, M.; Luis, J.M.; Duran, M.; Solà, M. Conference: Electronic Structure and Chemical Reactivity. Bellaterra (ESP) 2001. Title: Effects of solvation on the electron pairing analysis Author: Poater, J.; Solà, M.; Duran, M. Fradera, X. Conference: Electronic Structure and Chemical Reactivity. Bellaterra (ESP) 2001. Title: Structural and electronic properties of the series of fischer carbenes Author: Cases, M.; Frenking, G.; Duran, M.; Solà, M. Conference: Electron Densities and Electron Distributions Workshop. Donostia (ESP) 2000. Title: Optimizing hybrid density functionals by means of quantum molecular similarity techniques Author: Poater, J.; Solà, M.; Duran, M. Conference: International Conference on Electronic Structure: Prediction and Applications. Donostia (ESP) 2000. Title: Chemical reactivity and electron pairing: analysis of a series of common reactions Author: Poater, J.; Solà, M.; Duran, M.; Fradera, X. Conference: DFT-2000, Satellite Symposium of the 10th International Congress of Quantum Chemistry. Menton (FRA) 2000. Title: Parametrizing the B3LYP functional using quantum molecular similarity measures Author: Solà, M.; Poater, J.; Duran, M. Conference: European Summer School in Quantum Chemistry (ESQC). Bologna (ITA) 2000. Title: Analysis of electron pairing reorganization in a series of chemical reactions Author: Poater, J.; Solà, M.; Duran, M.; Fradera, X. Conference: Excited States in Molecules and Solids. Interplay between experiment and theory (ESMS99). Tarragona (ESP) 1999. Title: Excited state intramolecular proton transfer in model systems of 2-(2'-hydroxyphenyl)benzimidazole Author: M. Forés, M. Duran, M. Solà, and L. Adamowicz Conference: 18th International Conference on Organometallic Chemistry (XVIIIth ICOMC). Munich (DEU) 1998. Title: On the Mechanism of the Fe(CO)<sub>5</sub>-Catalyzed Water-Gas Shift Reaction in the Gas Phase Author: M. Torrent, M. Solà and G. Frenking Conference: 7th International Conference on Mathematical Chemistry and 3rd Girona Seminar on Molecular Similarity. Girona (ESP) 1997. Title: Intramolecular Proton Transfer in the ground and two first excited states of the 1-amino-3-propenal and related species Author: M. Duran, M. Forés and M. Solà Conference: 9th International Congress of Quantum Chemistry. Atlanta (USA) 1997. Title: Substituent effects in a series of neutral and cation radical complexes of vinyl alcohol with proton acceptors: A quantum molecular similarity measures analysis using HF and DFT electron densities Author: L. Luchini, E.L. Coitiño, M. Forés, M. Solà, and M. Duran Conference: 7th International Conference on Mathematical Chemistry and 3rd Girona Seminar on Molecular Similarity. Girona (ESP) 1997. Title: Weighing up different mechanistic proposals for the Dötz reaction: A density functional study Author: M. Duran, M. Solà, and M. Torrent Conference: 3rd Electronic Conference on Organometallic Chemistry (ECTOC-3). London (GBR) 1997. Title: Theoretical study of the first steps of the Dötz benzannulation reaction: Dissociative path versus associative path Author: M. Torrent, M. Duran, and M. Solà Conference: Fullerenes '96. Oxford (GBR) 1996. Title: Theoretical Study of Diels-Alder Cycloadditions to C<sub>60</sub> and C<sub>70</sub> Author: M. Solà, J. Mestres and M. Duran Conference: 3rd Electronic Computational Chemistry Conference (ECCC-3). Illinois (USA) 1996. Title: Exploring transition metal (VI) dioxodihalides chemistry MO<sub>2</sub>X<sub>2</sub> (M=Cr,Mo) Author: M. Torrent, M. Duran, and M. Solà Conference: 3rd Electronic Computational Chemistry Conference (ECCC-3). Illinois (USA) 1996. Title: A new procedure for assessing the quality of a given basis set based on quantum molecular similarity measures Author: M. Forés, M. Solà and M. Duran Conference: XXIII Congreso Internacional de Químicos Teóricos de Expresión Latina. Cáceres (ESP) 1996. Title: Estudio teórico de la obtención de acetaldehido y etanol a partir de la hidrogenación del complejo CH<sub>3</sub>(O)CCo(CO)<sub>3</sub> en el proceso catalítico de hidroformilación Author: M. Solà and T. Ziegler Conference: Computational Thermochemistry. Orlando (USA) 1996. Title: The decarbonylation step of the Dötz reaction: Density Functional Predictions Author: M. Torrent, M. Duran and M. Solà Conference: International Conference in Memory of Samuel Francis Boys and in Honour of Isaiah Shavitt. Molecular Quantum Mechanics: Methods and Applications. Cambridge (GBR) 1995. Title: Quantum Molecular Similarity: Applications to Chemical Structure and Reactivity Author: M. Duran, J. Mestres, R. Carbó, J.M. Oliva and M. Solà Conference: 2nd Electronic Computational Chemistry Conference (ECCC-2). Illinois (USA) 1995. Title: A comparison by means of Quantum Molecular Similarity Measures of Density Distributions derived from Conventional ab initio and Density Functional Methods Author: M. Solà, J. Mestres, R. Carbó and M. Duran Conference: 6th International Conference on the Applications of Density Functional Theory in Chemistry and Physics. París (FRA) 1995. Title: Molybdenum (VI) Dioxodihalides: Agreement with experiment and prediction of unknown properties through density functional theory Author: M. Torrent, M. Duran and M. Solà Conference: VII Reunión Científica Plenaria de Química Inorgánica. Múrcia (ESP) 1995. Title: Preparación y Caracterización de los compuestos: Piridinium-n-Carboxilato Trioxocromato (VI) (n=3,4) y Piridinium-4-Carboxílico Piridina-4 Carboxilato Trioxocromato (VI) Hemihidrato Author: P. Martin-Zarza, P. Gili, C. Ruiz Pérez, F.V. Rodríguez-Romero, G. Lotter, J.M. Arrieta, M. Torrent, J. Mestres, M. Solà i M. Duran Conference: 2nd Girona Seminar on Molecular Similarity. Girona (ESP) 1995. Title: A Comparative Analysis by means of Quantum Molecular Similarity Measures of Charge Distribution in the Cr(CO)<sub>6</sub> complex derived from Conventional ab initio and Density Functional Methods Author: M. Torrent, M. Duran and M. Solà Conference: 8th International Congress of Quantum Chemistry. Praga (CZE) 1994. Title: Transition States for Hydrogen Abstraction in [H<sub>2</sub>CO.H<sub>2</sub>O]<sup>.+ </sup>Complexes. How reliable is UMP2? Author: E.L. Coitiño, M. Solà, M. Duran and O.N. Ventura Conference: 10th European Symposium on Structure-Activity Relationships: QSAR and Molecular Modeling. Barcelona (ESP) 1994. Title: A Comparative Study of Electron Density Distributions derived from HF, MP2, QCISD and DFT Methods Author: M. Solà, J. Mestres, E. Besalú, R. Carbó and M. Duran Conference: European Summer School in Quantum Chemistry (ESQC-93). Lund (SWE) 1993. Title: Messem: a program to perform fast calculations on quantum molecular similarity measures Author: J. Mestres, M. Solà, M. Duran and R. Carbó Conference: Faraday Symposium nº 29. Potential Energy Surfaces and Organic Reaction Paths. Oxford (GBR) 1993. Title: On the use of ab initio Quantum Molecular Similarities to better understand organic reactions Author: M. Solà, J. Mestres, R. Carbó and M. Duran Conference: Faraday Symposium nº 29. Potential Energy Surfaces and Organic Reaction Paths. Oxford (GBR) 1993. Title: Ab initio MO Model of the HCO<sub>3</sub><sup>-</sup>/H<sub>2</sub>O Exchange in Carbonic Anhydrase Author: J.L. Andrés, M. Solà, M. Duran, A. Lledós and J. Bertrán Conference: 7th International Congress of Quantum Chemistry. Menton (FRA) 1991. Title: Ab initio study of the hydration of CO<sub>2</sub> and the exchange of HCO<sub>3</sub><sup>-</sup> by H<sub>2</sub>O in the Carbonic Anhydrase Enzyme Author: M. Solà, M. Duran, A. Lledós and J. Bertrán Conference: 22nd Midwest Theoretical Chemistry Conference. Indiana (USA) 1989. Title: Proton transfer in the water dimer catalyzed by Zn(II) Author: M. Solà, M. Duran, A. Lledós and J. Bertrán Conference: XVIII Congreso de Químicos Teóricos de Expresión Latina. La Plata (ARG) 1989. Title: Modelización de la actividad catalítica de la anhidrasa carbónica: Estudio ab initio del sistema (NH<sub>3</sub>)<sub>3</sub>Zn<sup>II</sup>(H<sub>2</sub>O)<sub>2</sub> + CO<sub>2</sub> Author: M. Solà, M. Duran, A. Lledós and J. Bertrán Conference: Workshop on current aspects of Quantum Chemistry. Girona (ESP) 1988. Title: Estudio teórico de la disociación del agua por cationes metálicos dival Author: M. Solà, A. Lledós, M. Duran and J. Bertrán Conference: XVII Congreso de Químicos Teóricos de Expresión Latina. Peñíscola (ESP) 1987. Title: Estudio teórico de la disociación del agua por cationes metálicos divalentes Author: M. Solà, A. Lledós, M. Duran and J. Bertrán
Conference: Reunión Bienal de la Sociedad Española de Catálisis (SECAT'23). Torremolinos (ESP) 2023. Title: Homogenizing Heterogeneous Catalysts: Carbon Dioxide Conversion as a Case Example Author: Posada-Pérez, S.; Vidal López, A.; Solà, M.; Poater, A Conference: Congrés internacional de Docència Universitària i Innovació (CIDUI) 2023. Lleida (ESP) 2023. Title: Perspectiva de Gènere a la docència: Dones, Ciència, Viquipèdia Author: Simon, S.; Berga, C.; Alsina, N.; Solà, M.; Duran, M. Conference: XXXIX Reunión Bienal de la Real Sociedad Española de Química. Saragossa (ESP) 2023. Title: Functionalization of fullerenes by transition metal-catalyzed cascade processes Author: Castanyer, C.; Solà, M.; Roglans, A.; Pla-Quintana, A. Conference: 1a Reunió de Química Teòrica i Computacional. Barcelona (ESP) 2023. Title: L'Intrigant Aromaticitat de les (sub)ftalocianines Author: Sílvia Escayola; Albert Poater; Miquel Solà; Eduard Matito Conference: 28th PhotoIUPAC. Amsterdam (NLD) 2022. Title: How to analyse excited state (anti)aromaticity by computations? Author: Ottosson, H.; El Bakouri, O.; Escayola, S.; Proos Vedin, N.; Szczepanik, D. W.; Solà, M.; Conference: Psi-k 2022. Lausanne (CHE) 2022. Title: Clar π-Sextet Rule Determines Aromaticity and Extrusion of Benzenoids Linked to [o-COSAN]<sup>-</sup> Author: Poater, J.; Solà, M.; Viñas, C.; Teixidor, F. Conference: 2nd meeting of the Excellence Network MODE-fotovoltaica. Madrid (ESP) 2022. Title: Effect of photoinduced electron transfer in pi-extended macrocycles Author: Gibu George, Anton J. Stasyuk, Miquel Solà Conference: ACS Fall 2022 - Sustainability In a Changing World. Chicago (USA) 2022. Title: Tuning the electronic nature of excited conjugated rings Author: Sílvia Escayola; Claire Tonnelé; Eduard Matito; Albert Poater; Henrik Ottosson; Miquel Solà; David Casanova Conference: Young Reserachers Symposium (Girona Seminar). Girona (ESP) 2022. Title: Global and Local Aromaticity of (Sub)Phthalocyanines Author: Sílvia Escayola; Dariusz W. Szczepanik; Albert Poater; Miquel Solà; Eduard Matito Conference: 9th Young Scientist Workshop on Theoretical Chemistry and Computational Modelling. Vigo (ESP) 2022. Title: The Intriguing Aromaticity of (Sub)Phthalocyanines Author: Sílvia Escayola; Albert Poater; Miquel Solà; Eduard Matito Conference: 11th Singapore International Chemistry Conference (SICC-11). Singapore (SGP) 2022. Title: Aromaticity and extrusion of benzenoids linked to [o-COSAN]<sup>-</sup>: Clar has the answer Author: Poater, J.; Viñas, C.; Solà, M.; Teixidor, F. Conference: 58th Meeting of the Serbian Chemical Society. Belgrade (SRB) 2022. Title: Magnetically induced current densities in singlet and triplet disk-like boron clusters Author: Đorđević, S.; Solà, M.; Radenković, S. Conference: Math/Chem/Comp 2022 - 33rd MC2 Conference. Online (CRO) 2022. Title: The Intriguing Aromaticity of (Sub)Phthalocyanines Author: Sílvia Escayola; Dariusz W. Szczepanik; Albert Poater; Miquel Solà; Eduard Matito Conference: XII Trobada de Joves Investigadors dels Països Catalans. (ESP) 2022. Title: Ciclació en cascada d'1,5-bisal·lens i alquins catalitzada per Rh(I) per a la formació de cis-3,4-arilvinilpirrolidines i ciclopentans Author: Jordi Vila; Roger Vinardell; Miquel Solà; Anna Pla-Quintana; Anna Roglans Conference: 4th HC3A Meeting: Hetero-elements and Coordination Chemistry:from Concepts to Applications Meeting. Barcelona (ESP) 2022. Title: Synthesis of fused dihydroazepine derivatives of fullerenes by a Rh-catalyzed cascade process Author: A. Artigas, C. Castanyer, N. Roig, A. Lledó, M. Solà, A. Pla-Quintana, A. Roglans Conference: 8th workshop on MAGnetically Induced Currents in Molecules (MAGIC 2022). Cambridge (ENG) 2022. Title: Disk aromaticity in singlet and triplet boron clusters. A current density point of view Author: Đorđević, S.; Solà, M.; Radenković, S. Conference: 242nd ECS Meeting. Atlanta (USA) 2022. Title: Photoinduced Electron Transfer in Mechanically Interlocked Suit[3]Ane Systems Author: Stasyuk, A. J.; Stasyuk, O. A.; Solà, M.; Voityuk, A. A: Conference: 4th HC3A Meeting: Hetero-elements and Coordination Chemistry:from Concepts to Applications Meeting. Barcelona (ESP) 2022. Title: Synthesis of fused dihydroazepine derivatives of fullerenes by a Rh-catalyzed cascade process Author: Artigas, A.; Castanyer, C.; Roig, N.; Lledó, A.; Solà, M.; Pla-Quintana, A.; Roglans, A. Conference: VIth Conference of Predoctoral Researchers - UdG. Girona (ESP) 2022. Title: Understanding the electronic structure of excited state aromatic systems and macrocycles Author: Sílvia Escayola; Albert Poater; Miquel Solà; Eduard Matito Conference: Jornades d'Investigadors Predoctorals de la UdG. Girona (ESP) 2022. Title: Functionalization of fullerenes by cyclization reactions Author: Cristina Castanyer; Anna Pla-Quintana; Anna Roglans; Miquel Solà. Conference: 8th workshop on MAGnetically Induced Currents in Molecules (MAGIC 2022). Cambridge (ENG) 2022. Title: Persistent strong diatropic ring currents in aromatic closo- and nido-carboranes Author: Poater, J.; Viñas, C.; Solà, M.; Teixidor, F. Conference: IQCC Forum. Girona (ESP) 2022. Title: Anti(aromaticity) of pi-conjugated nano-hoops Author: Gibu George, Anton J. Stasyuk, Miquel Solà Conference: 2nd meeting of the Excellence Network MODE-fotovoltaica. Madrid (ESP) 2022. Title: Molecular bowls as electron donors in photoinduced electron transfer reactions Author: Stasyuk, A. J.; Stasyuk, O. A.; Voityuk, A. A.; Solà, M. Conference: e-EUCO-CTC 2021. (BEL) 2021. Title: Non-covalent Interaction between Boron Clusters and Aromatic Rings and Its Applications Author: Poater, J.; Solà, M.; Tu, D.; Yan, H. Conference: Pacifichem 2021. Honululu (USA) 2021. Title: Survival of the aromaticity in boron clusters despite radical structural changes Author: Poater, J.; Solà, M.; Teixidor, F:; Viñas, C. Conference: e-EUCO-CTC 2021. (BEL) 2021. Title: Tuning the Aromaticity of Excited para-quinodimethanes Author: Escayola, S.; Tonnelé, C.; Matito, E.; Poater, A.; Ottosson, H.; Solà, M.; Casanova, D. Conference: RSEQ Symposium 2021. Madrid (ESP) 2021. Title: The non-covalent nido-cage···π-ring interaction between boron clusters and aromatic rings Author: Poater, J.; Solà, M.; Tu, D.; Yan, H. Conference: V Jornades d'Investigadors Predoctorals de la Universitat de Girona. Girona (ESP) 2021. Title: Guidelines for tuning the excited state Hückel-Baird hybrid aromatic character of pro-aromatic quinoidal compounds Author: Escayola, S.; Tonnelé, C.; Matito, E.; Poater, A.; Ottosson, H.; Solà, M.; Casanova, D. Conference: Nodos del conocimiento. Evento virtual (ESP) 2020. Title: Magazine-style live streaming as a new tool to disseminate science in (post)pandemic times Author: Blasco, F.; Duran, M.; Solà, M.; Simon, S. Conference: 3rd Hetero-elements and Coordination Chemistry: from Concepts to Applications Meeting (3rd HC3A). Toulouse (FRA) 2020. Title: A Rh-Catalyzed Cycloisomerization/Diels-Alder Cascade Reaction of 1,5-Bisallenes for the Synthesis of Polycyclic Heterocycles Author: Albert Artigas, Jordi Vila, Agustí Lledó, Miquel Solà, Anna Pla-Quintana, Anna Roglans Conference: XII Jornadas de Jóvenes Investigadores en Física Atómica y Molecular (J2IFAM2020). Bilbao (ESP) 2020. Title: Tuning the diradical character of chichibabin compounds: effect of π-system length and exocyclic substituents on the electronic structure Author: Sílvia Escayola, Albert Poater, Miquel Solà Conference: Onzena Trobada de Joves Investigadors dels Països Catalans. Vilanova i la Geltrú (ESP) 2020. Title: Síntesi de ful·lerens funcionalitats mitjançant reaccions de ciclació catalitzades per rodi(I) Author: Castanyer, C.; Artigas, A.; Solà, M.; Pla-Quintana, A.; Roglans, A. Conference: Nodos del conocimiento. Evento virtual (ESP) 2020. Title: Card Magic as a convenient tool for the public awareness and understanding of Quantum Computing basics Author: Duran, M.; Simon, S.; Solà, M.; Blasco, F. Conference: II Meeting of the Spanish Photovoltaics Excellence Network 'Orgenergy'. Madrid (ESP) 2019. Title: Photoinduced charge shift in Li<sup>+</sup> doped giant nested fullerenes Author: Stasyuk, A. J.; Stasyuk, O. A.; Solà, M.; Voityuk; A. A. Conference: 235th ECS Meeting. Dallas (USA) 2019. Title: Photoinduced charge separation in several dyads involving fullerenes Author: Solà, M.; Stasyuk, A. J.; Stasyuk, O. A.; Voityuk; A. A. Conference: 256th ACS National Meeting. Boston (USA) 2018. Title: Preparation of open-cage fullerene derivatives by rhodium(I)-catalysed [2+2+2] cycloaddition of diynes and C<sub>60</sub>: an experimental and theoretical study Author: Artigas, A.; Castro, E.; Pla-Quintana, A.; Echegoyen, L.; Lledó, A.; Solà, M.; Roglans, A. Conference: X Trobada de Joves Investigadors dels Països Catalans. Barcelona (ESP) 2018. Title: Synthesis of open-cage fullerene derivatives by rhodium(I)-catalyzed [2+2+2] cycloaddition of C60 and diynes Author: Albert Artigas; Agustí Lledó; Anna Pla-Quintana; Anna Roglans; Miquel Solà Conference: Girona Seminar 2018, young researcher symposium. Girona (ESP) 2018. Title: Synthesis of open-cage fullerene derivatives by rhodium(I)-catalyzed [2+2+2] cycloaddition of C<sub>60</sub> and diynes Author: Artigas, A.; Lledó, A.; Pla-Quintana, A.; Roglans, A.; Solà, M. Conference: 2nd European Symposium on Chemical Bonding. Oviedo (ESP) 2018. Title: Assessing the role of &p.-electrons in Resonance-Assisted Hydrogen Bonds (RAHB) Author: Simon, S.; Pareras, G.; Duran, M.; Solà, M. Conference: Kick-off meeting Spanish Photovoltaics Excellence Network "Orgenergy". Madrid (ESP) 2018. Title: Rate of photoinduced charge transfer reaction in (endohedral metallo)fullerenes Author: Solà, M.; Martínez, J. P.; Stasyuk, A. J.; Voityuk, A. A. Conference: Desena trobada de joves investigadors dels països catalans. Barcelona (ESP) 2018. Title: Estudi del catalitzador 2,2-bipiridina-6,6-dicarboxilat de Ru com a catalitzador per oxidació de l'aigua Author: Jesús Antonio Luque Urrutia; Albert Poater Teixidor; Miquel Solà i Puig Conference: Girona Seminar 2018, young researcher symposium. Girona (ESP) 2018. Title: Mechanism study of 2,2'-bypyridine-6,6'-dicarboxilate Ru catalyst as a water oxidation catalyst Author: Luque-Urrutia; J. A.; Poater, A.; Solà, M. Conference: VIII Mediterranean Organic Chemistry Meeting. Palma (ESP) 2017. Title: Synthesis of open-cage fullerene derivatives by rhodium(I)-catalyzed [2+2+2] cycloaddition of C60 and diynes Author: Dr. Agustí Lledó, Dr. Anna Pla-Quintana, Prof. Dr. Anna Roglans, Prof. Dr. Miquel Solà Conference: XXXVI Biennial Meeting - Spanish Royal Society of Chemistry (RSEQ). Sitges (ESP) 2017. Title: Everyday Analogies to Understand Difficult Concepts: Aromaticity Author: Simon, S.; Poater, J.; Duran, M.; Solà, M. Conference: 11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC). Munich (DEU) 2017. Title: Tailoring Resonance Assisted Hydrogen Bonds Author: Simon, S.; Pareras, G.; Duran, M.; Solà, M. Conference: XXXVI Biennial Meeting - Spanish Royal Society of Chemistry (RSEQ). Sitges (ESP) 2017. Title: The Baird Rule and the Aromaticity of Low-Lying Excited States Author: Solà, M.; El Bakouri, O.; Poater, J.; Feixas. F. Conference: 9a Trobada de Joves Investigadors dels Països Catalans. Perpignan (FRA) 2016. Title: Reusable manganese compounds containing pyrazole-based ligands for olefin epoxidation reactions Author: Ester Manrique, Albert Poater, Xavier Fontrodona, Miquel Solà, Montserrat Rodríguez, Isabel Romero Conference: ISTCP IX 2016 Conference. Grand Forks (USA) 2016. Title: Bonding description of the Harpoon mechanism Author: Matito, E.; Rodríguez-Mayorga, E.; Ramos-Córdoba, E.; Salvador, P.; Solà, M.; Ugalde, J. M. Conference: Novena Trobada de Joves Investigadors dels Països Catalans. Perpinyà (FRA) 2016. Title: Effect of the substrate and solvent into computationals studies of the alkanehydroxylation mechanism by non-heme Fe=O catalysts Author: Postils, V.; Company, A.; Solà, M.; Costas, M.; Luis, J. M. Conference: XXVI Reunión Bienal de Química Orgánica. Huelva (ESP) 2016. Title: Enantioselective Rh(I)-carbenoid mediated cascade Author: Ò. Torres, T. Parella, M. Solà, A. Roglans, A. Pla-Quintana Conference: XXXI Annual Meeting of Reference Network of R+D+i on Theoretical and Computational Chemistry. (ESP) 2015. Title: Effect of the substrate and solvent into the alkane hydroxylation mechanism by non-heme Fe<sup>V</sup>=O(Pytacn) catalyst Author: Verònica Postils; Anna Company; Miquel Solà; Miquel Costas; Josep M. Luis Conference: 16th International Symposium on Novel Aromatic Compounds (ISNA-16). Madrid (ESP) 2015. Title: Aromaticity in fullerenes and endohedral metallofullerenes cages with different charges and spin states. Effects on molecular structure and reactivity Author: Miquel Solà; Ouissam El Bakouri; Marc Garcia-Borràs; Sílvia Osuna; Marcel Swart; Josep M. Luis Conference: 16th International Conference on Density Functional Theory and its Applications. Debrecen (HUN) 2015. Title: Design and characterization of molecular electrides Author: Josep M Luis, Verònica Postils, Marc Garcia-Borràs, Miquel Solà, Eduard Matito Conference: V Encuentro Nacional de Químicos Teóricos y Computacionales. Guatapé (COL) 2014. Title: Estudio Teórico de la aromaticidad de diferentes isómeros de cúmulos isoelectrónicos al Al<sub>4</sub><sup>2-</sup> Author: Islas, R.; Poater, J.; Matito, E.; Solà, M. Conference: 225th Electrochemical Society (ECS) Meeting, Orlando FL (USA). Orlando, FL, USA (ESP) 2014. Title: Maximum Aromaticity as a Guiding Principle for the Mosrt Suitable Hosting Cages in Endohedral Metallofullerenes Author: Garcia-Borràs, M.; Osuna, S.; Swart, M.; Luis, J.M.; Solà, M. Conference: 49° Congreso Mexicano de Química. Mérida (MEX) 2014. Title: Estudio teórico del mecanismo de reacción de serina-proteasas como posible coadyuvante para la liberación de aductos de fármacos anticancerígenos Author: Díaz, E.; Robles, J.; Solà, M.; Swart, M. Conference: 225th Electrochemical Society (ECS) Meeting, Orlando FL (USA). Orlando, FL, USA (USA) 2014. Title: Aromaticity as the Driving Force for Bingel-Hirsch Derivatization of Endohedral Metallofullerenes Author: Osuna, S.; Garcia-Borràs, M.; Swart, M.; Luis, J.M.; Echegoyen, L.; Solà, M. Conference: XI Girona Seminar on Carbon, Metal, and Carbon-Metal Clusters: From Theory to Applications. Girona (ESP) 2014. Title: Exploring the Potential Energy Surface of E2P4 Clusters (E= Group 13 Element): The Quest For Inverse Carbon-Free Sandwiches Author: Castro, A. C.; Osorio, E.; Cabellos, J. L.; Cerpa, E.; Matito, E.; Solà, M.; Swart, M.; Merino, G. Conference: 5th Congress of the European Association for Chemical and Molecular Sciences (EuCheMS). Estambul (TUR) 2014. Title: Characterization and Identification of Electrides Author: Matito, E.; Postils, V.; Garcia-Borràs, M.; Solà, M.; Luis, J. M. Conference: 49° Congreso Mexicano de Química. Mérida (MEX) 2014. Title: Diseño in silico de nanodispositivos anticancerígenos utilizando nanotubos de carbono de capa sencilla funcionalizados con derivados de cis platino Author: Díaz, E.; Jiménez-Halla, J. O. C.; García, M.; Solà, M.; Swart, M.; Robles, J. Conference: 248th ACS National Meeting & Exposition. San Francisco (USA) 2014. Title: The Multicenter Bond Index: a versatile tool to characterize electron delocalization and aromaticity Author: Matito, E.; Feixas, F.; Ugalde, J. M.; Solà, M. Conference: XI Girona Seminar on Carbon, Metal, and Carbon-Metal Clusters: From Theory to Applications. Girona (ESP) 2014. Title: Computational Investigation of 1,3-Dipolar Adducts Isomerization of (Endohedral Metallo)Fullerenes Author: Garcia-Borràs, M.; Osuna, S.; Yamakoshi, Y; Martín, N.; Solà, M. Conference: 225th Electrochemical Society (ECS) Meeting, Orlando FL (USA). Orlando, FL, USA (ESP) 2014. Title: A Complete Guide on the Influence of Metal Clusters in the Diels-Alder Regioselectivity of Ih-C80 Endohedral Metallofullerenes<u></u><u></u> Author: Garcia-Borràs, M.; Osuna, S.; Luis, J.M.; Swart, M.; Solà, M. Conference: XI Girona Seminar on Carbon, Metal, and Carbon-Metal Clusters: From Theory to Applications. Girona (ESP) 2014. Title: Theoretical Characterization of Electrides Author: Postils, V.; Garcia-Borràs, M.; Solà, M.; Luis, J. M.; Matito E. Conference: 2nd Society Meeting of GEQB (RSEQ) Chemical Biology Group. Bilbao (ESP) 2014. Title: Characterization of redox-active copper proteins Author: M. Swart; Díaz-Cervantes, E.; Solà, M. Conference: Congrés internacional de Docència Universitària i Innovació (CIDUI) 2014. Tarragona (ESP) 2014. Title: De l’Aula Universitària als MOOC. Repte i oportunitat per a la didàctica i divulgació científica Author: Vieta Corcoy, P. A.; Guillaumes, L.; Simon, S.; Duran, J.; Güell, M.; Santos, E.; Cornellà, P.; Solà, M.; Duran, M. Conference: Vuitena Trobada de Joves Investigadors dels Països Catalans . Andorra la Vella (AND) 2013. Title: Ful·lerens Endoèdrics: Estructura, Reactivitat i el rol de l’Aromaticitat. Author: Garcia-Borràs, M.; Osuna, S.; Swart, M.; Luis, J.M.; Solà, M. Conference: Vuitena Trobada de Joves Investigadors dels Països Catalans. Andorra la Vella (AND) 2013. Title: [4+2] and [2+2] Cycloaddition of Benzyne to Single-Walled Carbon Nanotubes Author: Martínez, J. P.; Osuna, S.; Solà, M. Conference: Topological Approaches to Intermolecular Interactions. Paris (FRA) 2013. Title: Multicenter Bond Index: a versatile tool to characterize electron delocalization and aromaticity Author: Matito, E.; Feixas, F.; Barroso, J. M.; Solà, M.; Ugalde, J. M. Conference: UNIVEST 2013. IV International Conference: Strategies Towards Cooperative Learning. Girona (ESP) 2013. Title: Magic and Chemistry: what we learnt during the International Year of Chemistry 2011 Author: Duran, M.; Simon, S.; Vieta, J. A.; Guillaumes, L.; Güell, M.; Solà, M.; Duran, J. Conference: Topological Approaches to Intermolecular Interactions. Paris (FRA) 2013. Title: Characterization and Identification of Electrides Author: Postils, V.; Matito, E.; Garcia-Borràs, M.; Solà, M.; Luis, J. M. Conference: XXIX Reunió Anual de Xarxa de Referència de Química Teòrica i Computacional. Bellaterra (ESP) 2013. Title: The use of energy decomposition analyses to unravel the origin of the relative stabilities of 1,2-/1,3-Diazacyclobutadiene, Pyrazole/Imidazole, and Pyridazine/Pyrimidine Author: El-Hamdi, M.; Tiznado, W.; Poater, J.; Solà, M. Conference: Topological Approaches to Intermolecular Interactions. Paris (FRA) 2013. Title: Theoretical studies of the metal-phenylene interaction in a P(CH)P pincer rhodium(I) complex Author: Lepetit, C.; Poater, J.; Solà, M.; Contreras-Garcia, J.; Canac, Y.; Zargarian, D.; Chauvin, R. Conference: Topological Approaches to Intermolecular Interactions. Paris (FRA) 2013. Title: Effects on the Diels-Alder Endohedral Metallofullerene Monoadduct stabilities. The Cp/Cp*-La@C2v-C82 example Author: Garcia-Borràs, M.; Osuna, S.; Swart, M.; Luis, J. M.; Solà, M. Conference: UNIVEST 2013. IV International Conference: Strategies Towards Cooperative Learning. Girona (ESP) 2013. Title: Hands-on with two MOOC using the MiriadaX platform Author: Duran, M.; Duran, J.; Vieta, J. A.; Guillaumes, L.; Santos, E.; Güell, M.; Solà, M.; Cornellà, P.; Simon, S. Conference: Vuitena Trobada de Joves Investigadors dels Països Catalans. Andorra la Vella (AND) 2013. Title: Funcionals híbrids per l’àtom harmònic de dos i tres electrons Author: Mayorga, M.R.; Solà, M.; Matito, E. Conference: XXXIV Reunión Bienal de la Real Sociedad Española de Química. Santander (ESP) 2013. Title: Aromaticity in fullerenes and endohedral metallofullerenes. Effects on electronic structure, molecular structure, and reactivity Author: Solà, M.; Garcia-Borràs, M.; Osuna, S.; Poater, J.; Swart, M.; Luis, J. M. Conference: Vuitena Trobada de Joves Investigadors dels Països Catalans. Andorra la Vella (AND) 2013. Title: Metal•locarborans, una nova plataforma per materials moleculars Author: Arderiu, V. S.; Olid-Britos, D.; Poater, J.; Solà, M.; Viñas, C.; Teixidor, F. Conference: 18th International Symposium on Homogeneous Catalysis (ISHC-18). Toulouse (FRA) 2012. Title: Cu<sup>I</sup>/Cu<sup>III</sup> Catalytic Cycle Involved In Ullmann-Type Cross-Coupling Reactions Author: Ribas, X.; Casitas, A.; Font, M.; Rovira, M.; Güell, I.; Wang, M. Z.; Canta, M.; Solà, M.; Costas, M. Conference: XXVIII Reunió Anual de Xarxa de Referència de Química Teòrica i Computacional. Barcelona (ESP) 2012. Title: NMR Chemical Shifts in Nucleotides: Influence of the Mg(II) Coordination Site Author: Armangué, L.; Fonseca Guerra, C.; Swart, M.; Wijmenga, S. S.; Solà, M.; Bickelhaupt, F. M. Conference: XXVIII Reunió Anual de Xarxa de Referència de Química Teòrica i Computacional. Barcelona (ESP) 2012. Title: New approximation for the third-order reduced density matrix Author: Matito, E.; Feixas, F.; Solà, M.; Barroso, J. M.; Ugalde, J. M. Conference: Challenges in Density Matrix and Density Functional Theory. Ghent (BEL) 2012. Title: New approximation for the third-order reduced density mat Author: Matito, E.; Feixas, F.; Solà, M.; Barroso, J. M.; Ugalde, J. M. Conference: ESPA 2012. Electronic Structure: Principles and Applications. Barcelona (ESP) 2012. Title: Regioselectivity and Reversivility of the Exohedral Functionalization of Endohedral Metallofullerene by Diels-Alder Cycloadditions. The La@C2v-C82 Example Author: Garcia-Borràs, M.; Osuna, S.; Swart, M.; Luis, J. M.; Solà, M. Conference: 4th Congress of the European Association for Chemical and Molecular Sciences (EuCheMS). Praga (CZE) 2012. Title: Theoretical Characterization and Identification of Electrides Author: Matito, E.; Postils, V.; Garcia-Borràs, M.; Solà, M.; Luis, J. M. Conference: ESPA 2012. Electronic Structure: Principles and Applications. Barcelona (ESP) 2012. Title: New approximation for the third-order reduced density matrix Author: Matito, E.; Feixas, F.; Solà, M.; Barroso, J. M.; Ugalde, J. M. Conference: X Girona Seminar on Theoretical and Computational Chemistry for the Modeling of Biochemical Systems: From Theory to Applications. Girona (ESP) 2012. Title: NMR Chemical Shifts in Nucleotides: Influence of the Mg(II) Coordination Site Author: Armangué, L.; Fonseca-Guerra, C.; Swart, M.; Wijmenga, S. S.; Solà, M.; Bickelhaupt, F. M. Conference: VII Trobada de Joves Investigadors dels Països Catalans. Palma de Mallorca (ESP) 2012. Title: Nou Model per Predir la Regioselectivitat de les Cicloaddicions Diels-Alder als Compostos Metal•loendoful•lerènics. L’exemple del X@C<sub>78</sub> Author: Garcia-Borràs, M.; Osuna, S.; Swart, M.; Luis, J.M.; Solà, M. Conference: XXVIII Reunió Anual de Xarxa de Referència de Química Teòrica i Computacional. Barcelona (ESP) 2012. Title: The Frozen Cage Model: a computationally low-cost tool for predicting the exohedral regioselectivity of cycloaddition reactions involving endohedral metallofullerenes Author: Garcia-Borràs, M.; Osuna, S.; Swart, M.; Luis, J.M.; Solà, M. Conference: ACS 241th National Meeting. Anaheim (USA) 2011. Title: Aromaticity and electronic delocalization in all-metal clusters with single, double, and triple aromatic character Author: Feixas, F.; Matito, E.; Duran, M.; Poater, J.; Solà, M. Conference: Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists WATOC 2011. Santiago de Compostela (ESP) 2011. Title: An Improved Density Functional for Biological Applications Author: Swart, M.; Solà, M.; Bickelhaupt, F. M.; Johansson, M. P.; Armangué, L. Conference: ACS 240th National Meeting. Boston (USA) 2010. Title: Test to evaluate the performance of aromaticity descriptors in all-metal and semimetal clusters: An appraisal of electronic and magnetic indicators of aromaticity Author: Poater, J.; Feixas, F.;Jiménez-Halla, J. O. C.; Matito, E.; Solà, M. Conference: XXVI Reunió Anual de Xarxa de Referència de Química Teòrica i Computacional. Bellaterra (ESP) 2010. Title: Substituent effects on [2+2+2] cycloaddition reactions catalyzed by the Wilkinson’s Catalyst. A DFT study Author: Dachs, A.; Roglans, A.; Solà, M. Conference: The 2010 International Chemical Congress of Pacific Basin Societies (Pacifichem). Honolulu (USA) 2010. Title: Exploring the exohedral reactivity of TNT Endohedral MetalloFullerenes (EMFs): The Encapsulation Effect and the Fullerene Strain Energy Author: Osuna, S.; Swart, M.; Poblet, J. M.; Solà, M. Conference: ACS 240th National Meeting. Boston (USA) 2010. Title: Patterns of &p.-electron delocalization in aromatic and antiaromatic organic compounds in the light of the Hückel's 4n+2 rule Author: Poater, J.; Feixas, F.; Matito, E.; Solà, M. Conference: The 2010 International Chemical Congress of Pacific Basin Societies (Pacifichem). Honolulu (USA) 2010. Title: Is water a source of energy? Author: Poater, A.; Sala, X.; Ragone, F.; Llobet, A.; Solà, M.; Cavallo, L.; Poch, M. Conference: 37th Inorganic Reaction Mechanisms Group Meeting (37IRMGM). Barcelona (ESP) 2008. Title: Mechanistic Insights into the chemistry of Ru(II) complexes containing Cl and dmso ligands Author: Bozoglian, F.; Mola, J.; Romero, I.; Rodríguez, M.; Poater, A.; Solà, M.; Parella, T.; Benet-Buchholz, J.; Fontrodona, X.; Llobet, A. Conference: XXIV Reunió de la Xarxa de Química Teòrica i Computacional de Catalunya. Girona (ESP) 2008. Title: Reactivitat Diels-Alder dels ful•lerens endoèdrics X<sub>3</sub>N@C<sub>78</sub> (X= Sc, Y) comparada amb C<sub>78</sub>: Efecte de l'encapsulació i la tensió de la caixa Author: Osuna, S.; Swart, M.; Solà, M. Conference: VIII Girona Seminar on Aromaticity: Basics and Applications. Girona (ESP) 2008. Title: The Role of local aromaticity in the fluorination process of carbon nanotubes Author: Osuna, S.; Torrent-Sucarrat, M.; Ewels, C.P.; Solà, M.; Geerlings, P.; Van Lier, G. Conference: 51th Polish Chemical Society Congress. Opole (POL) 2008. Title: Analiza zjawiska chelatoaromatyczności na przykładzie kompleksów hydroksypyronów z jonami glinu, galu i indu Author: Zborowski, K.K.; Solà, M.; Poater, J.; Proniewicz, L.M. Conference: Meeting on Computational Bio-Inorganic Chemistry. Molecular Graphics and Modeling Society Spring (MGMS) . Cardiff (ENG) 2008. Title: Theoretical study of the reaction mechanism of a biomimetic complex of tyrosinase Author: Güell, M.; Luis, J.M.; Solà, M., Siegbhan, P.E.M. Conference: VIII Girona Seminar on Aromaticity: Basics and Applications. Girona (ESP) 2008. Title: Analysis of Hückel’s [4n+2] Rule through electronic delocalization measures Author: Feixas, F.; Poater, J.; Matito, E.; Solà, M. Conference: 2nd Euchems Chemistry Congress. Torino (ITA) 2008. Title: Direct observation of the first C –H•••Cu(II) agostic interaction: Reactivity not correlated with agostic strenght Author: Ribas, X.; Calle, C.; Poater, A.; Xifra, R.; Gómez, L.; Casitas, A.; Costas, M.; Schweiger, A.; Benet-Buchholz, J.; Fontrodona, X.; Mitrikas, G.; Solà, M.; Llobet, A.; Stack, T. P. D. Conference: Meeting on Computational Bio-Inorganic Chemistry. Molecular Graphics and Modeling Society Spring (MGMS). Cardiff (ENG) 2008. Title: Complete Intramolecular Aromatic Hydroxylation Mechanism through O<sub>2</sub> Activation by a Macrocyclic Dinuclear Copper(I) Complex Author: Poater, A.; Ribas, X.; LLobet, A.; Cavallo, L.; Solà, M. Conference: XXIV Reunió de la Xarxa de Química Teòrica i Computacional de Catalunya. Girona (ESP) 2008. Title: Estudi sobre el comportament de diferents índexs d'aromaticitat: Tests per a una avaluació crítica Author: Feixas, F.; Matito, E.; Poater, J.; Solà, M. Conference: V Trobada de Joves Investigadors dels Països Catalans. Vic (ESP) 2008. Title: Estudi Teòric de la reacció de Diels-Alder en el ful·lerè TNT endohèdric Sc<sub>3</sub>N@C<sub>78</sub> Author: Osuna, S.; Swart, M.; Campanera, J.M.; Poblet, J.M.; Solà, M. Conference: 235th ACS National Meeting. New Orleans (USA) 2008. Title: E2 versus S<sub>N</sub>2: How to tune the competition Author: Bento, P.; Jansen, P.; Solà, M.; Bickelhaupt, F.M. Conference: VIII Girona Seminar on Aromaticity: Basics and Applications. Girona (ESP) 2008. Title: Modelling Structure Property Relationships of Carbon Nanoneedles Author: Poater, A.; Gallegos, A.; Carbó-Dorca, R.; Solà, M.; Worth, A.P. Conference: 236th ACS National Meeting. Philadelphia (USA) 2008. Title: Critical assessment on the performance of aromaticity criteria on a test set Author: Poater, J.; Feixas, F.; Matito, E.; Solà, M. Conference: 233<sup>rd</sup> ACS national meeting. Chicago (USA) 2007. Title: Ab initio and DFT benchmark study for nucleophilic substitution at carbon (SN2@C) and silicon (SN2@Si) Author: Bento, A. P.; Solà, M.; Bickelhaupt, F. M. Conference: 9th FIGIPAS Meeting in Inorganic Chemistry. Viena (AUT) 2007. Title: From Molecular Squares to Nanosized Capsule Magnetic Sensors Author: Company, A.; Gómez, L.; Garcia, I.; Fontrodona, X.; Roques, N.; Datcu, A.; Mugnaini, V.; Veciana, J.; Güell, M.; Solà, M.; Luis, J. M.; Costas, M.; Ribas, X. Conference: Experiment & Theory in Transition Metal Chemistry: a meeting point. Bellaterra (ESP) 2006. Title: Mechanism of the intramolecular aromatic hydroxylation in a hexaaza macrocyclic dicopper complex Author: Poater, A.; Ribas, X.; Company, A.; Costas, M.; Duran, M.; Llobet, A.; Solà, M. Conference: 232nd American Chemical Sosciety National Meeting & Exposition (ACS). San Francisco (California) (USA) 2006. Title: New electron delocalization-based aromaticity criteria Author: Poater, J.; Matito, E.; Feixas, F.; Duran, M.; Solà, M. Conference: VII Girona Seminar on the Nature of the Chemical Bond. Girona (ESP) 2006. Title: The hardness kernel as the basis for global and local reactivity indexes Author: Torrent-Sucarrat, M.; Salvador, P.; Solà, M.; Geerlings, P. Conference: Faraday Discussions 135. Chemical Concepts of Quantum Mechanics. Manchester (ENG) 2006. Title: Electron sharing indexes at the correlated level. Application to aromaticity calculations Author: Matito, E.; Solà, M.; Salvador, P.; Duran, M. Conference: XXII Reunió de la Xarxa de Química Teòrica i Computacional de Catalunya (RXQT). Barcelona (ESP) 2006. Title: Estudi teòric de la cicloaddició intramolecular tèrmica de fuller-1,6-enins Author: Güell, M.; Solà, M.; Altable, M.; Filippone, S.; Martín-Domenech, A.; Martín, N. Conference: VII Girona Seminar on the Nature of the Chemical Bond. Girona (ESP) 2006. Title: Phenanthrene is more stable than anthracene due to more efficient -bonding, not H-H bonding Author: Poater, J.; Visser, R.; Bickelhaupt, F.M.; Solà, M. Conference: 232nd American Chemical Sosciety National Meeting & Exposition (ACS). San Francisco (USA) 2006. Title: The nonexistance of hydrogen–hydrogen bonding in planar biphenyl and the failure of Atoms-In-Molecules (AIM) theory Author: Poater, J.; Solà, M.; Bickelhaupt, F.M. Conference: XXII Reunió de la Xarxa de Química Teòrica i Computacional de Catalunya (RXQT). Barcelona (ESP) 2006. Title: Efectos electrónicos de la migración haptotrópica: Cambios en aromaticidad Author: Jimenez Halla, J.O.C.; Solà, M. Conference: VII Girona Seminar on the Nature of the Chemical Bond. Girona (ESP) 2006. Title: Computational study on the structure of DNA Author: Swart, M.; van Bochove, M.A.; van der Wijst, T.; Fonseca Guerra, C.; Bickelhaupt, F.M.; Solà, M. Conference: Electronic Structure: Principles and Applications (ESPA 2006). Santiago de Compostela (ESP) 2006. Title: Computational study on the structure of DNA Author: Swart, M.; van Bochove, M.A.; Solà, M.; Bickelhaupt, F.M. Conference: 230th American Chemical Society Meeting. Washington (USA) 2005. Title: The energy landscape of bimolecular nucleophilic substitution (SN2) reactions: a comparison of Density Functional Theory and Coupled Cluster methods Author: Swart, M.; Solà, M.; Bickelhaupt, F.M. Conference: Pomeranian Quantum Chemistry and Physics Workshop Electronic Structure of Atoms and Molecules.. Pobierowo (POL) 2005. Title: Electron correlation on chemical bonding descriptors Author: Matito, E.; Poater, J.; Silvi, B.; Blancafort, L..; Duran, M.; Solà, M. Conference: Transnational Access Meeting for HPC-Europa projects. Stuttgart (DEU) 2005. Title: Energy landscapes of bimolecular nucleophilic substitution (SN2) reactions: a comparison of Density Functional Theory and Coupled Cluster methods Author: Swart, M.; Solà, M.; Bickelhaupt, F.M. Conference: Oxygen Activation COST Meeting. Girona (ESP) 2004. Title: Dinuclear copper macrocyclic complexes. Ligand modulation of structure and reactivity Author: López, J.M.; Company, A.; Lamata, D.; Ribas, X.; Benet-Buchholz, J.; Poater, A.; Xifra, R.; Mahía, J.; Llobet, A.; Solà, M.; Costas, M. Conference: XX Reunió de la Xarxa de Química Teòrica. Barcelona (ESP) 2004. Title: Efectes electrònics i estructurals en l’activació de l’O<sub>2</sub> mitjançant complexos biomimètics macrocíclics dinuclears de coure Author: Poater, A.; Ribas, X.; Costas, M.; Xifra, R.; Companys, A.; Duran, M.; Llobet, A.; Solà, M. Conference: XX Reunió de la Xarxa de Química Teòrica de Catalunya. Barcelona (ESP) 2004. Title: Caracterització de Reaccions Pericícliques Pseudopericícliques Author: Matito, E.; Poater, J.; Duran, M.; Solà, M. Conference: 6th Girona Seminar on Molecular Similarity. Girona (ESP) 2003. Title: Theoretical characterization of the reactivity of the copper clusters Cu<sub>n</sub> (n=1-9) with CO Author: Poater, A.; Jaque, P.; Duran, M.; Toro-Labbé, A.; Solà, M. Conference: Theoretical Biophysics Symposium. Donostia (ESP) 2003. Title: Bond characterization of a series of Fischer-type Chromium-Carbene complexes by means of electron pairing analysis Author: Poater, J.; Cases, M.; Fradera, X.; Duran, M.; Solà, M. Conference: 6th Girona Seminar on Molecular Similarity. Girona (ESP) 2003. Title: Study of the overall electronic delocalization in buckminsterfullerene by means of electron pairing analysis Author: Poater, J.; Duran, M.; Solà, M. Conference: Theoretical Biophysics Symposium. San Sebastián (ESP) 2003. Title: A new vision of aromaticity through the electron-pair density Author: Poater, J.; Solà, M.; Fradera, X.; Duran, M. Conference: 6th Girona Seminar on Molecular Similarity. Girona (ESP) 2003. Title: Average populations and probabilities on molecular space Author: Matito, E.; Duran, M.; Solà, M. Conference: XIX Reunió Anual de la Xarxa de Química Teòrica de Catalunya. Girona (ESP) 2003. Title: Els perfils de duresa poden ser útils per indicar la presència de punts estacionaris ficticis? Author: Torrent-Sucarrat, M.; Luis, M.; Duran, M.; Solà, M. Conference: XIX Reunió Anual de la Xarxa de Química Teòrica de Catalunya. Girona (ESP) 2003. Title: Estudi bielectrònic de l’enllaç per pont d’hidrogen en el marc de la teoria d’àtoms en molècules Author: Poater, J.; Fradera, X.; Solà, M.; Duran, M.; Simon, S. Conference: 6th Girona Seminar on Molecular Similarity. Girona (ESP) 2003. Title: Hardness profile as a tool to predict the presence of wrong stationary points Author: Torrent-Sucarrat, M.; Luis, J.M.; Duran, M.; Solà, M. Conference: NanoteC'02. Brighton (GBR) 2002. Title: Ab initio study of the aromaticity in Fullerenes and carbon nanotubes Author: Van Lier, G.; Cases, M.; Duran, M.; Solà, M.; Geerlings, P. Conference: XVIII Reunió de la xarxa de química teòrica i computacional de Catalunya. Barcelona (ESP) 2002. Title: L’índex de deslocalització com a nou criteri electrònic d’aromaticitat Author: Poater, J.; Fradera, X.; Duran, M.; Solà, M. Conference: 21st Meeting of the Electrochemical Society (ECS). Philadelphia (USA) 2002. Title: The aromaticity in bowl-shaped policyclic aromatic hydrocarbons Author: Solà, M.; Poater, J.; Duran, M.; Fradera, X. Conference: 224th ACS National Meeting. Boston (USA) 2002. Title: Steric and electronic effects in the rhodium-catalyzed carbonylation reactions Author: Cavallo, L.; Haynes, A.; Solà, M. Conference: 199th Meeting of the Electrochemical Society (ECS). Washington (USA) 2001. Title: The reactivity of the [5,6]-bond in C<sub>60</sub>. A Theoretical Study of the Addition of Nitrenes and Diazo Compounds to C<sub>60</sub> Author: Solà, M.; Cases, M.; Duran, M.; Mestres, J.; Martín, N. Conference: 5th Girona Seminar on Molecular Similarity. Girona (ESP) 2001. Title: Are the vibrational nonlinear optical property series converged? Author: Torrent-Sucarrat, M.; Solà, M.; Duran, M.; Kirtman, B.; Luis, J.M. Conference: 5th Girona Seminar on Molecular Similarity. Girona (ESP) 2001. Title: Are the B3LYP bielectronic indices superior to those obtained with the Hartree-Fock method? Author: Poater, J.; Robles, J.; Duran, M.; Solà, M. Conference: XVII Reunió del grup de Química Teòrica de Catalunya. Tarragona (ESP) 2001. Title: Com poder discernir si les vibracions asimètriques d’una molècula compliran els principis de màxima duresa i de mínima polaritzabilitat Author: Torrent-Sucarrat, M.; Luis, J.M.; Duran, M.; Solà, M. Conference: 5th Girona Seminar on Molecular Similarity. Girona (ESP) 2001. Title: Application of QM/MM methods to the study of cycloadditions to [60]-fullerenes Author: Cases, M.; Cavallo, L.; Duran, M.; Solà, M. Conference: Acte Acadèmic per celebrar el treball número 200 del Prof. R. Carbó-Dorca. Girona (ESP) 2000. Title: Cicloaddició [1+2] del singlet oxicarbonilnitrè al C60 Author: Cases, M.; Solà, M.; Duran, M. Conference: Acte acadèmic per celebrar el treball número 200 del Prof. R. Carbó-Dorca. Girona (ESP) 2000. Title: Hi ha alguna relació entre les funcions de Fukui i la duresa? Author: Torrent-Sucarrat, M.; Solà, M. Conference: Acte Acadèmic per celebrar el treball número 200 del Prof. R. Carbó-Dorca. Girona (ESP) 2000. Title: Optimització de funcionals de la densitat híbrids mitjançant tècniques de semblança molecular quàntiques Author: Poater, J.; Solà, M.; Duran, M. Conference: Encuentro sobre Física de la Materia Condensada: Aplicaciones de la teoría del funcional de la densidad y otros métodos de la química cuántica. Laredo (ESP) 1999. Title: Cicloadición 1,3-dipolar entre la CH<sub>3</sub>N<sub>3</sub> y la molécula C<sub>60</sub>. Estudio del mecanismo de reacción Author: M. Cases, M. Duran, i M. Solà Conference: XIV Reunió Anual de la Xarxa de Química Teòrica. Girona (ESP) 1998. Title: Comparació metodològica per descriure la transferència protònica de l'1-amino-3-propenal en l'estat fonamental i en els estats excitats Author: M. Forés, M. Duran, M. Solà, L. Adamowicz and O.N. Ventura Conference: XIII Reunión del Grupo de Química Teòrica de Cataluña. Barcelona (ESP) 1997. Title: Transferència protònica intramolecular en l'estat fonamental i en els dos primers estats excitats de l'1-amino-3-propenal i derivats Author: M. Forés, M. Solà i M. Duran Conference: 7th International Conference on Mathematical Chemistry and 3rd Girona Seminar on Molecular Similarity. Girona (ESP) 1997. Title: On the Application of Quantum Similarity Techniques to the Analysis and the Improvement of Density Functional Theory Methods Author: R. Carbó-Dorca, M. Duran, M. Forés, J. Mestres and M. Solà Conference: 9th International Congress of Quantum Chemistry. Atlanta (USA) 1997. Title: Does the Mechanism of the Dötz Reaction Need to Be Reformulated ? A Density Functional Study Author: M. Torrent, M. Duran, and M. Solà Conference: XII Reunió del grup de química teòrica de Catalunya. Cambrils (ESP) 1996. Title: Avaluació de les densitats electròniques intracular i extracular en sistemes bi- i trielectrònics Author: M. Torrent, M. Duran i M. Solà Conference: I Reunió del Grup de Química Teòrica de Girona. Girona (ESP) 1996. Title: Cicloaddicions Diels-Alder múltiples al C60 Author: M. Solà, M. Duran i J. Mestres Conference: XI Reunió del grup de Química Quàntica de Catalunya de l'Institut d'Estudis Catalans (IEC). Bellaterra (ESP) 1995. Title: Estudi metodològic sistemàtic del fluorur de cromil, CrO<sub>2</sub>F<sub>2</sub>. Aplicació a la família de compostos MO<sub>2</sub>X<sub>2</sub> (M=Cr, Mo, X=F,Cl,Br,I) Author: M. Torrent, M. Solà i M. Duran Conference: X Reunió del Grup de Química Quàntica de Catalunya de l'Institut d'Estudis Catalans (IEC). Barcelona (ESP) 1994. Title: La semblança molecular quàntica aplicada a l'estudi de la reactivitat química Author: J. Mestres, M. Solà, E. Besalú, M. Duran i R. Carbó Conference: X Reunió del Grup de Química Quàntica de Catalunya de l'Institut d'Estudis Catalans (IEC). Barcelona (ESP) 1994. Title: Predicció d'activitats biològiques d'enzims de Zinc substituïts mitjançant mesures de semblança molecular quàntica Author: M. Solà, J. Mestres, E. Besalú, M. Duran i R. Carbó Conference: 1st Girona Seminar on Molecular Similarity. S'Agaró (ESP) 1993. Title: Applications of Quantum Similarity Measures: Fast calculation from ab initio wavefunctions Author: J. Mestres, M. Solà, M. Duran and R. Carbó Conference: I Encuentro Hispano-Japonés en Química Inorgánica. Alcalá de Henares (ESP) 1992. Title: Análisis de la actividad catalítica del zinc mediante cálculos teóricos ab initio Author: M. Duran, M. Solà, J. Bertrán and A. Lledós Conference: 2nd World Congress of Theoretical Organic Chemistry. Toronto (CAN) 1991. Title: Analysis of solvent effects on the Menshutkin reaction, WATOC 90 Author: M. Solà, M. Duran, A. Lledós and J. Bertrán Conference: VII Reunió del Grup de Química Quàntica de Catalunya de l'Institut d'Estudis Catalans. Barcelona (ESP) 1991. Title: Hidratació del CO<sub>2</sub> a l'Anhidrasa Carbònica. Comparació entre els mecanismes proposats per Lindskog i Lipscomb Author: M. Solà, M. Duran, A. Lledós and J. Bertrán Conference: VI Reunió del grup de química quàntica de l'Institut d'Estudis Catalans. València (ESP) 1990. Title: Efecte de la solvatació en la reacció de Menshutkin Author: M. Solà, M. Duran, A. Lledós and J. Bertrán Conference: VI Reunió del grup de química quàntica de l'Institut d'Estudis Catalans. València (ESP) 1990. Title: Noves aplicacions del mètode de l'enllaç de valència a l'estudi de l'estructura electrònica de les molècules Author: M. Solà, M. Duran, A. Lledós and J. Bertrán
Conference: First International Conference on Excited State Aromaticity and Antiaromaticity (ICESAA). Sigtuna (SWE) 2019. Title: Author: Solà, M. Conference: Aromaticity 2018. Riviera Maya (MEX) 2018. Title: Co-Chairman del congrés Author: Merino, G.; Ottosson, H.; Solà, M. Conference: XI Girona Seminar on Carbon, Metal, and Carbon-Metal Clusters: From Theory to Applications. Girona (ESP) 2014. Title: Author: Solà, M. Conference: X Girona Seminar on Theoretical and Computational Chemistry for the Modeling of Biochemical Systems: From Theory to Applications. Girona (ESP) 2012. Title: Author: Solà, M. Conference: IX Girona Seminar on Electron Density, Density Matrices and Density Functional Theory. Girona (ESP) 2010. Title: Author: Solà, M.
Conference: 243rd ECS Meeting. Boston (USA) 2023. Title: B05 - Fullerenes - Endohedral Fullerenes and Molecular Carbon 4 session (afternoon of 31st May) Author: Solà, M. Conference: Math/Chem/Comp (Mathematics, Chemistry, Computers) Conference (MCC2-34). Dubrovnik (CRO) 2023. Title: Chairman of the morning session of 6th June Author: Solà, M. Conference: Girona Seminar 2020. Girona (ESP) 2022. Title: Author: Solà, M. Conference: Math/Chem/Comp (Mathematics, Chemistry, Computers) Conference (MCC2-33). Dubrovnik (CRO) 2022. Title: Author: Solà, M. Conference: First International Conference on Excited State Aromaticity and Antiaromaticity (ICESAA). Sigtuna (SWE) 2019. Title: Author: Solà, M. Conference: Aromaticity 2018. Riviera Maya (MEX) 2018. Title: Presidència de la segona sessió del matí del dia 28 de novembre Author: Solà, M. Conference: International Conference on Systems and Processes in Physics, Chemistry and Biology (ICSPPCB 2018). Silchar (IND) 2018. Title: Author: Solà, M. Conference: International Conference on Phosphorus, Boron and Silicon 2018. Barcelona (ESP) 2018. Title: Presidència de la primera sessió del matí del dia 11 de desembre Author: Solà, M. Conference: 10th Triennial Congress of the World Association of Theoretical and Computational Chemists WATOC 2014. Santiago de Chile (CHL) 2014. Title: Author: Solà, M. Conference: XXX Reunió Anual de Xarxa de Referència de Química Teòrica i Computacional. Barcelona (ESP) 2014. Title: Author: Solà, M. Conference: XXXIV Reunión Bienal de la Real Sociedad Española de Química. Santander (ESP) 2013. Title: Presidente de la primera sesión del simposio “Estructura y Reactividad: De la Teoría al Experimento” Author: Solà, M. Conference: Girona Workshop on Theoretical Chemistry 2010. Girona (ESP) 2010. Title: Author: Solà, M. Conference: Workshop on Theoretical Chemistry. Platja d'Aro (ESP) 2009. Title: Chairman de la darrera sessió del dia 11 de juliol Author: Solà, M. Conference: XXII Reunió de la Xarxa de Química Teòrica i Computacional de Catalunya (RXQT). Barcelona (ESP) 2006. Title: Chairman de la segona sessió del dia 6 de juliol Author: Solà, M. Conference: Structural Organic Chemistry. Central European School on Physical Organic Chemistry. Wroclaw (POL) 2005. Title: Chairman de la primera sessió del matí del dia 21 de juny Author: Solà, M. Conference: XXI Reunió de la Xarxa de Química Teòrica i Computacional de Catalunya. Bellaterra (ESP) 2005. Title: Chairman de la segona sessió del dia 12 de juliol Author: Solà, M. Conference: 6th Girona Seminar on Molecular Similarity. Girona (ESP) 2003. Title: Chairman de la segona sessió del dia 22 de juliol Author: Solà, M. Conference: 5th Girona seminar on molecular similarity. Girona (ESP) 2001. Title: Chairman de la primera sessió del mati del dia 13 de juliol Author: Solà, M. Conference: Acte acadèmic per celebrar el treball número 200 del prof. R. Carbó-Dorca. Girona (ESP) 2000. Title: Chairman de la segona sessió del matí del dia 10 de març Author: Solà, M. Conference: XIV Reunió Anual de la Xarxa de Química Teòrica. Girona (ESP) 1998. Title: Chairman d'una de les sessions de la tarda del dia 30 de juny Author: M. Solà Conference: 7th International Conference on Mathematical Chemistry and 3rd Girona Seminar on Molecular Similarity. Girona (ESP) 1997. Title: Chairman de la sessió de la tarda del dia 30 de maig Author: M. Solà
Conference: XXXXIII Congrès de Chimie Théorique d'expression latine (CHITEL ou QUITEL 2017). Paris (FRA) 2017. Title: Present and future of the theoretical chemistry Author: Yáñez, M.; Brenner, V.; Taïti-Kellou, S.; Ciofini, I; Coitiño, E. L.; Mó, O.; Silvi, B.; Barone, V.; Solà, M.; Toro-Labbé, A.; Champagne, B. Conference: 2a Trobada de joves investigadors dels Països Catalans. Girona (ESP) 2002. Title: Com es pot fer carrera d’investigador científic en el nostre país? Author: Solà, M.