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Institute of Computational Chemistry and Catalysis

Publications

Articles Científics

Data Títol Autor(s)
2022 3D and 2D aromaticies like oil and water in the case of benzocarborane derivatives Poater, J.; Viñas, C.; Solà, M.; Teixidor, F.
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.

Reviews

Data Títol Autor(s)
2022 C-S cross-coupling reactions catalyzed by well-defined copper and nickel complexes Ernesto Rufino-Felipe; Hugo Valdés; David Morales-Morales
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

Articles de Divulgació

Altres Articles

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

Llibres

Capítols de Llibre

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.

Documents Científico-Tècnics

Proceedings

Actes de Congressos

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

Publicacións Multimèdia

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

Notes Breus

Altres Publicacions

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