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doc icon DUGiDocs 13 desembre 2016 Development of structurally and electronally versatile aminopyridine cobalt complexes for photo-(electro) reduction of water and ketones Call Quintana, Arnau
out url icon DUGiDocs 24 abril 2025 DFT calculations towards predictive organo/organometallic chemistry Tomasini, Michele
doc icon DUGiDocs 21 octubre 2010 Dihydrogen bonds: a study Hugas Germà, David
doc icon TDX 21 octubre 2010 Dihydrogen bonds: a study Hugas Germà, David
out url icon Recercat Dihydrogen bonds: a study Hugas Germà, David
doc icon DUGiDocs 22 novembre 2017 Electronic structure, chemical bonding, and electronic delocalization of organic and inorganic systems with three-dimensional or excited state aromaticity El Bakouri El Farri, Ouissam
out url icon DUGiDocs 13 març 2023 Elucidating the role of conformational dynamics of Aspergillus niger Monoamine oxidase towards enzymatic chiral amines synthesis Curado Carballada, Christian
doc icon DUGiDocs 10 desembre 2021 Enzymatic and bioinspired iron oxidation chemistry: a computational study D’Amore, Lorenzo
out url icon DUGiDocs 14 maig 2024 Exploring the boundaries of aromaticity through computational analysis of excited states and complex molecular topologies Escayola Gordils, Sílvia
out url icon DUGiDocs 15 juliol 2024 Exploring the reactivity of in situ generated metal vinylcarbenes Díaz Jiménez, Àlex
out url icon DUGiDocs 14 gener 2025 Exploring the use of Rh-catalyzed cyclization reactions for the functionalization of fullerenes Castanyer Caballé, Cristina
doc icon DUGiDocs 27 setembre 2019 First row transition metal carbenes: from supporting ligands to organic reactive fragments Rodríguez Serrat, Mònica
out url icon DUGiDocs 31 juliol 2025 Functional cavitands as artificial enzymes: bridging computational and synthetic strategies for supramolecular catalysis and beyond Lopez Coll, Ricard
out url icon DUGiDocs 28 juliol 2025 Generation of theoretical DHICA melanin models for the simulation of optical spectra Bosch i Coch, Daniel
out url icon DUGiDocs 3 setembre 2025 Getting insight into C-H functionalization and cross-coupling reactions mediated by nickel and other first-row transition metals Juvanteny i Palomeras, Adrià
out url icon DUGiDocs 6 octubre 2023 Gold complexes based on (N,C) and (N,C,C) chelating ligands: ligand design and reactivity studies in cross-coupling catalysis Font Rubio, Pau
doc icon DUGiDocs 21 juny 2018 Gold complexes for homogeneous cross-coupling catalysis and migratory insertion reactions Serra Parareda, Jordi
doc icon DUGiDocs 20 juny 2016 Highly enantioselective epoxidation with hydrogen peroxide and biologically inspired iron and manganese catalysts Cussó Forest, Olaf
out url icon Recercat Highly enantioselective epoxidation with hydrogen peroxide and biologically inspired iron and manganese catalysts Cussó Forest, Olaf
doc icon DUGiDocs 20 desembre 2001 Implementation and application of basis set superposition error-correction schemes to the theoretical modeling of weak intermolecular interactions Salvador Sedano, Pedro
doc icon TDX 20 desembre 2001 Implementation and application of basis set superposition error-correction schemes to the theoretical modeling of weak intermolecular interactions Salvador Sedano, Pedro
out url icon Recercat Implementation and application of basis set superposition error-correction schemes to the theoretical modeling of weak intermolecular interactions Salvador Sedano, Pedro
doc icon DUGiDocs 24 juliol 1998 Interaccions moleculars: correcció de l’error de superposició de base i propietat de les funcions flotants Simon i Rabasseda, Sílvia
doc icon TDX 24 juliol 1998 Interaccions moleculars: correcció de l’error de superposició de base i propietat de les funcions flotants Simon i Rabasseda, Sílvia
out url icon Recercat Interaccions moleculars: correcció de l’error de superposició de base i propietat de les funcions flotants Simon i Rabasseda, Sílvia
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