Llistar Títols per Autor "Universitat de Girona. Institut de Química Computacional"

S'han trobat 116 ítems

Llistant ítems des de 0 a 25:

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doc icon DUGiDocs 4 febrer 2011 Analysis of chemical bonding and aromaticity from electronic delocalization descriptors Feixas Geronès, Ferran
doc icon DUGiDocs 4 febrer 2011 Analysis of chemical bonding and aromaticity from electronic delocalization descriptors Feixas Geronès, Ferran
doc icon TDX 4 febrer 2011 Analysis of chemical bonding and aromaticity from electronic delocalization descriptors Feixas Geronès, Ferran
out url icon Recercat Analysis of chemical bonding and aromaticity from electronic delocalization descriptors Feixas Geronès, Ferran
doc icon TDX 15 juny 2015 Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds Guillaumes Domènech, Laia
out url icon Recercat Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds Guillaumes Domènech, Laia
doc icon DUGiDocs 15 juny 2015 Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds Guillaumes Domènech, Laia
doc icon DUGiDocs 5 febrer 2010 Basis set superposition error effects, excited-state potential energy surface and photodynamics of thymine Asturiol Bofill, David
doc icon TDX 5 febrer 2010 Basis set superposition error effects, excited-state potential energy surface and photodynamics of thymine Asturiol Bofill, David
out url icon Recercat Basis set superposition error effects, excited-state potential energy surface and photodynamics of thymine Asturiol Bofill, David
doc icon DUGiDocs 24 juliol 2019 Bioinspired iron models: from diiron complexes to supramolecular functionalized metallocavitands Vidal Sánchez, Diego
doc icon DUGiDocs 16 maig 2022 Bioinspired ligands and model substrates for the mechanistic elucidation of oxygen activation and cross-coupling reactions mediated by first-row transition metals Magallón Gubau, Carla
doc icon DUGiDocs 3 desembre 2020 Bioinspired metal-based oxidants: selectivity in catalytic hydroxylation of aliphatic C-H bonds and insight into the reactivity of oxoiron species Dantignana, Valeria
doc icon DUGiDocs 3 desembre 2021 Carboxylic acids as directing groups for intramolecular catalytic oxidation of unactivated C(sp3)-H bonds with bioinspired catalysts Cianfanelli, Marco
out url icon DUGiDocs 22 juliol 2022 Chelation-assisted metal-catalyzed functionalization of strong Csp2-H/Heteroatom bonds: trapping intermediate species and unveiling mechanistic details Capdevila Güell, Lorena
out url icon DUGiDocs 7 juliol 2023 Computational exploration and design of HHDH variants with novel synthetically useful functionalities Estévez-Gay, Miquel
doc icon DUGiDocs 14 gener 2020 Computational mechanistic studies of C-H and C-X activated organometallic species with first-row transition metals Roldán Gómez, Steven
doc icon DUGiDocs 12 febrer 2021 Computational studies of the conformational landscape of allosteric and enantioselective enzymes María Solano, Miguel Ángel
doc icon DUGiDocs 18 desembre 2018 Computational studies of enzymatic and biomimetic catalysts Romero Rivera, Adrian
doc icon DUGiDocs 20 juliol 2022 Computational studies of epoxide hydrolase-catalyzed ring-opening reactions Serrano Hervás, Eila
doc icon DUGiDocs 26 març 2021 Computational studies oriented towards the development of a greener chemistry Luque Urrutia, Jesús Antonio
doc icon DUGiDocs 17 novembre 2017 Computational study of nuclear magnetic shielding constants Castro Aguilera, Abril Carolina
doc icon DUGiDocs 31 gener 2020 Cyclization reactions for the functionalization of fullerenes: experimental and theoretical studies Artigas Ruf, Albert
out url icon DUGiDocs 9 octubre 2023 Density functional theory to the rescue of transition-metal chemistry Martins, Frederico F.
doc icon DUGiDocs 16 maig 1997 Desenvolupament computacional de la semblança molecular quàntica Constans Nierga, Pere
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