DUGi: Llistar Títols | (dc.creator:"Universitat de Girona. Institut de Química Computacional i Catàlisi" OR dc.contributor:"Universitat de Girona. Institut de Química Computacional i Catàlisi" OR dc.contributor.other:"Universitat de Girona. Institut de Química Computacional i Catàlisi")

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Format	Data	Títol	Autor
Format	Data	Títol	Autor
	15 juny 2015	Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds	Guillaumes Domènech, Laia
		Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds	Guillaumes Domènech, Laia
	15 juny 2015	Analysis of cooperation and electron delocalization in intermolecular hydrogen bonds	Guillaumes Domènech, Laia
	14 juny 2024	Applications of supramolecular nanocapsules: regioselective functionalization of fullerenes and molecular recognition of endohedral metallofullerenes	Pujals Crusat, Míriam
	18 març 2025	Asymmetric oxidative dearomatization of arenes with biologically inspired oxidation catalysts	Choukairi Afailal, Najoua
	24 juliol 2019	Bioinspired iron models: from diiron complexes to supramolecular functionalized metallocavitands	Vidal Sánchez, Diego
	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
	30 juliol 2024	Bio-inspired manganese-catalyzed asymmetric C-H oxidation: chiral pool expansion and predictive data analysis	Palone, Andrea
	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
	3 desembre 2021	Carboxylic acids as directing groups for intramolecular catalytic oxidation of unactivated C(sp3)-H bonds with bioinspired catalysts	Cianfanelli, Marco
	22 juliol 2022	Chelation-assisted metal-catalyzed functionalization of strong Csp2-H/Heteroatom bonds: trapping intermediate species and unveiling mechanistic details	Capdevila Güell, Lorena
	7 juliol 2023	Computational exploration and design of HHDH variants with novel synthetically useful functionalities	Estévez-Gay, Miquel
	14 gener 2020	Computational mechanistic studies of C-H and C-X activated organometallic species with first-row transition metals	Roldán Gómez, Steven
	25 abril 2025	Computational study and design of materials for photovoltaic applications	George, Gibu
	12 febrer 2021	Computational studies of the conformational landscape of allosteric and enantioselective enzymes	María Solano, Miguel Ángel
	18 desembre 2018	Computational studies of enzymatic and biomimetic catalysts	Romero Rivera, Adrian
	20 juliol 2022	Computational studies of epoxide hydrolase-catalyzed ring-opening reactions	Serrano Hervás, Eila
	26 març 2021	Computational studies oriented towards the development of a greener chemistry	Luque Urrutia, Jesús Antonio
	17 novembre 2017	Computational study of nuclear magnetic shielding constants	Castro Aguilera, Abril Carolina
	31 gener 2020	Cyclization reactions for the functionalization of fullerenes: experimental and theoretical studies	Artigas Ruf, Albert
	22 octubre 2024	Decomposition of (non)linear optical properties	Montilla Busquets, Marc
	9 octubre 2023	Density functional theory to the rescue of transition-metal chemistry	Martins, Frederico F.
	27 març 2023	Development and application of new methodologies for chemical bonding analysis	Gimferrer Andrés, Martí
	7 novembre 2023	Development of flexible cavitand receptors based on calix[5]arene. Rational design, synthesis and study of their properties	Álvarez Yebra, Rubén
	29 juliol 2014	Development of highly structured non-heme iron catalysts for selective C-H group oxidations	Canta i Roldós, Mercè

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