Llistar Títols per Autor "Universitat de Girona. Institut de Química Computacional"
S'han trobat 128 ítems
Llistant ítems des de 0 a 25:
| Format | Data | Títol | Autor |
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| Format | Data | Títol | Autor |
|---|
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4 febrer 2011 |
Analysis of chemical bonding and aromaticity from electronic delocalization descriptors |
Feixas Geronès, Ferran
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4 febrer 2011 |
Analysis of chemical bonding and aromaticity from electronic delocalization descriptors |
Feixas Geronès, Ferran
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4 febrer 2011 |
Analysis of chemical bonding and aromaticity from electronic delocalization descriptors |
Feixas Geronès, Ferran
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Analysis of chemical bonding and aromaticity from electronic delocalization descriptors |
Feixas Geronès, Ferran
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15 juny 2015 |
Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds |
Guillaumes Domènech, Laia
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Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds |
Guillaumes Domènech, Laia
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15 juny 2015 |
Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds |
Guillaumes Domènech, Laia
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14 juny 2024 |
Applications of supramolecular nanocapsules: regioselective functionalization of fullerenes and molecular recognition of endohedral metallofullerenes |
Pujals Crusat, Míriam
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18 març 2025 |
Asymmetric oxidative dearomatization of arenes with biologically inspired oxidation catalysts |
Choukairi Afailal, Najoua
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5 febrer 2010 |
Basis set superposition error effects, excited-state potential energy surface and photodynamics of thymine |
Asturiol Bofill, David
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5 febrer 2010 |
Basis set superposition error effects, excited-state potential energy surface and photodynamics of thymine |
Asturiol Bofill, David
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Basis set superposition error effects, excited-state potential energy surface and photodynamics of thymine |
Asturiol Bofill, David
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24 juliol 2019 |
Bioinspired iron models: from diiron complexes to supramolecular functionalized metallocavitands |
Vidal Sánchez, Diego
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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
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30 juliol 2024 |
Bio-inspired manganese-catalyzed asymmetric C-H oxidation: chiral pool expansion and predictive data analysis |
Palone, Andrea
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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
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3 desembre 2021 |
Carboxylic acids as directing groups for intramolecular catalytic oxidation of unactivated C(sp3)-H bonds with bioinspired catalysts |
Cianfanelli, Marco
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22 juliol 2022 |
Chelation-assisted metal-catalyzed functionalization of strong Csp2-H/Heteroatom bonds: trapping intermediate species and unveiling mechanistic details |
Capdevila Güell, Lorena
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7 juliol 2023 |
Computational exploration and design of HHDH variants with novel synthetically useful functionalities |
Estévez-Gay, Miquel
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14 gener 2020 |
Computational mechanistic studies of C-H and C-X activated organometallic species with first-row transition metals |
Roldán Gómez, Steven
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25 abril 2025 |
Computational study and design of materials for photovoltaic applications |
George, Gibu
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12 febrer 2021 |
Computational studies of the conformational landscape of allosteric and enantioselective enzymes |
María Solano, Miguel Ángel
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18 desembre 2018 |
Computational studies of enzymatic and biomimetic catalysts |
Romero Rivera, Adrian
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20 juliol 2022 |
Computational studies of epoxide hydrolase-catalyzed ring-opening reactions |
Serrano Hervás, Eila
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26 març 2021 |
Computational studies oriented towards the development of a greener chemistry |
Luque Urrutia, Jesús Antonio
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