Data Títol Autor(s) 2022 A basis set superposition error-free second-order perturbation theory from Hermitian chemical Hamiltonian approach self-consistent field canonic orbitals P Salvador; I Mayer 2022 A Rh(I)-Catalyzed Cyclization Cascade of 1,5-Bisallenes and Alkynes for the Formation of cis-3,4-Arylvinyl Pyrrolidines and Cyclopentanes Jordi Vila; Roger Vinardell; Miquel Solà; Anna Pla-Quintana; Anna Roglans 2022 An Enzymatic Platform for Primary Amination of 1-Aryl-2-alkyl Alkynes Zhen Liu; Zi-Yang Qin; Ledong Zhu; Soumitra V. Athavale; Arkajyoti Sengupta; Zhi-Jun Jia; Marc Garcia-Borràs; K. N. Houk; Frances H. Arnold 2022 Aromaticity and Extrusion of Benzenoids Linked to [o -COSAN]−: Clar Has the Answer Poater, J.; Viñas, C.; Olid, D.; Solà, M.; Teixidor, F. 2022 Aromaticity Rules Solà, M.
Data Títol Autor(s) 2022 Cyclotrimerization takes orders from rhodium Pla-Quintana, Anna; Roglans, Anna 2022 The Choice of Rhodium Catalysts in [2+2+2] Cycloaddition Reaction: A Personal Account Anna Pla-Quintana; Anna Roglans 2021 Aromaticity of nucleic acid bases Szatylowicz, H.; Stasyuk, O. A.; Solà, M.; Krygowski, T. M. 2021 Bimetallic complexes that merge metallocene and pincer-metal building blocks: synthesis, stereochemistry and catalytic reactivity Hugo Valdés; Juan M. Germán-Acacio; Gerard van Koten; David Morales-Morales 2021 Oxidative C-F cleavage in metalloenzymes and model compounds Miquel Costas; Anna Company
Data Títol Autor(s) 2019 Ciència i moda Joan Miró 2019 La taula periòdica dels elements Joan Miró 2019 Poesia i ciència Joan Miró 2018 Emocions i ciència Joan Miró 2018 Immunes! Joan Miró
Data Títol Autor(s) 2019 Corrigendum: Molybdenum on Solid Support Materials for Catalytic Hydrogenation of N2‐into‐NH3 L. M. Azofra, N. Morlanés, A. Poater, M. K. Samantaray, B. Vidjayacoumar, K. Albahily, L. Cavallo, J.‐M. Basset 2016 N-dimensional Boolean Hypercubes and the Goldbach Conjecture Carbó-Dorca, Ramon 2015 Cover Picture: The Role of Aromaticity, Hybridation, Electrostoatics and Covalency in Resonance-Assisted Hydrogen Bonds of Adeninbe- Thymine (AT) Base Pair L. Guillaumes; S. Simon; C Fonseca Guerra
Data Títol Autor(s) 2021 IV Conference of Pre-Doctoral Researchers Abstract Book Escola de Doctorat 2015 Spin states in biochemistry and inorganic chemistry: Influence on Structure and Reactivity M. Swart; M. Costas 2015 Spin states in biochemistry and inorganic chemistry: Influence on Structure and Reactivity M. Swart; M. Costas 2013 Sis octets d'octets Ramon Carbó-Dorca 2013 Sudoku Mentiroso Besalú, E.
Data Títol Autor(s) 2022 Organometallic Pincer Complexes of Cobalt, Rhodium, and Iridium Hugo Valdés; Rebeca Osorio-Yañez; Ernesto Rufino-Felipe; David Morales-Morales 2021 Excited state aromaticity for the design of new functional materials Solà, M. 2021 High-Valent Cu, Ag, and Au Coordination Compounds Ribas, X.; Capdevila, L.; Font, P. 2021 Organometallic Complexes of Copper Hugo Valdés; Xavi Ribas 2021 The Electron Density of Delocalized Bonds (EDDB) as a Measure of Local and Global Aromaticity Szczepanik, D.W.; Solà, M.
Data Títol Autor(s) 2011 Hexacarbonyl[μ-[(3,4-ε:3,4-ε)-2-methyl-3-butyn-2-ol]]dicobalt Agustí Lledó; Antoni Riera 2002 Quantitative assessment of the effect of BSSE on the electron density of molecular complexes by means of quantum molecular similarity measures Salvador, P.; Duran, M.; Fradera, X.
Data Títol Autor(s) 2012 A New DFT Functional Based on Spin-states and S<sub>N</sub>2 Barriers Swart, M.; Solà, M.; Bickelhaupt, F. M. 2012 On the Reliability of the Maximum Hardness and Minimum Polarizability Principles in Nontotally Symmetric Vibrations. Solà, M.; Luis, J. M.; Torrent-Sucarrat, M. 2007 Successes and failures of enhancing the bridge between secondary and higher education: Project LAQUIMICA.NET Duran, M.; Besalú, E.; Planas, M.; Duran Carpintero, J. 2003 Ligand topology tuning of non-heme iron-catalyzed hydrocarbon oxidations Costas, M.; Que, L. Jr 2002 The local aromaticities in buckybowls. From planar polycyclic aromatic hydrocarbons to C60 Poater, J.; Fradera, X.; Duran, M.; Solà, M.
Data Títol Autor(s) 2020 52 games with the periodic table Fernando Blasco, Sílvia Simon, Miquel DUran 2020 52 games with the periodic table: fun social communication Fernando Blasco; Sílvia Simon, Miquel Duran 2020 Fostering research and innovation in science communication by means of competitive projects Miquel Duran, Sílvia Simon, Fernando Blasco 2020 Que sea leve!: los conceptos abstractos complejos mejor comunicarlos con naipes Sílvia Simon; Fernando Blasco; Miquel Duran 2020 Science Education and Artificial Intelligence-A Chatbot on Magic and Quantum Computing as an Educational Tool Miquel Duran, Sílvia Simon, Fernando Blasco
Data Títol Autor(s) 2021 Looking for the Echoes of the Past: Reconverting an Hydroxynitrile Lyase to an Arylesterase Guillem Casadevall; Colin Pierce; Javier Iglesias-Fernández; Romas J. Kazlauskas; Sílvia Osuna 2018 C-H and C-X Bond Functionalization: Transition Metal Mediation Xavi Ribas 2016 Artificial Neural Networks and Multilinear Least Squares to Model Physicochemical Properties of Organic Solvents Jesús Vicente de Julián-Ortiz; Lionello Pogliani; Emili Besalú 2015 Molecular rearrangement of an aza-Scorpiand macrocycle induced by pH. A computational study J. Vicente de Julián-Ortiz; B. Verdejo; V. Polo; E. Besalú; E. García-España
Data Títol Autor(s) 2012 About the concept of Chemical Space: a concerned reflection on some trends of modern sci-entific thought within theoretical chemical lore R. Carbó-Dorca
Data Títol Autor(s) 2013 La Pell de l'Espai R. Carbó-Dorca; E. Besalú 2012 “Sobre el mal de Alzheimer y otros temas de la ciencia contemporánea” Carbó-Dorca, R. 2012 Recreational Chemistry and 2.0 Tools as a way to Communicate Science and, specifically, chemistry. Bridge between University and High Schools. J.A. Vieta; S. Simon; J. Duran; M. Güell; M. Duran; L. Guillaumes 2012 Recreational Chemistry and 2.0 Tools as a way to Communicate Science and, specifically, chemistry. Bridge between University and High Schools. J.A. Vieta; S. Simon; J. Duran; M. Güell; M. Duran; L. Guillaumes 2012 Researchers’ Night 2011: Chemistry Everywhere. A Walk in Marie Curie Live S. Simon; P.A. Vieta; L. Guillaumes; J. Duran; I. Aznar