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A complete guide on the influence of metal clusters in the diels-alder regioselectivity of Ih-C80 endohedral metallofullerenes |
Garcia Borràs, Marc
; Osuna Oliveras, Sílvia
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
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25 octubre 2013 |
A complete guide on the influence of metal clusters in the diels-alder regioselectivity of Ih-C80 endohedral metallofullerenes |
Garcia Borràs, Marc
; Osuna Oliveras, Sílvia
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
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2 juny 2023 |
Computational strategies for understanding the molecular basis of biochemical and biocatalytic processes |
Calvó-Tusell, Carla
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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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17 novembre 2017 |
Computational study of nuclear magnetic shielding constants |
Castro Aguilera, Abril Carolina
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Computational study of the spin-state energies and UV-Vis spectra of bis (1,4,7-triazacyclononane) complexes of some first-row transition metal cations |
Zlatar, Matija
; Gruden-Pavlović, Maja
; Güell Serra, Mireia
; Swart, Marcel
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2013 |
Computational study of the spin-state energies and UV-Vis spectra of bis (1,4,7-triazacyclononane) complexes of some first-row transition metal cations |
Zlatar, Matija
; Gruden-Pavlović, Maja
; Güell Serra, Mireia
; Swart, Marcel
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Corrigendum: Diels-Alder and Retro-Diels-Alder cycloadditions of (1,2,3,4,5-pentamethyl)cyclopentadiene to La@C2v-C82: Regioselectivity and product stability (Chemistry - A European Journal (2013) 19 DOI:10.1002/chem.201203517) |
Garcia Borràs, Marc
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
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22 juliol 2013 |
Corrigendum: Diels-Alder and Retro-Diels-Alder cycloadditions of (1,2,3,4,5-pentamethyl)cyclopentadiene to La@C2v-C82: Regioselectivity and product stability (Chemistry - A European Journal (2013) 19 DOI:10.1002/chem.201203517) |
Garcia Borràs, Marc
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
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1 agost 2020 |
Dealing with spin states in computational organometallic catalysis |
Swart, Marcel
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Density functional study on UV/VIS spectra of copper-protein active sites: the effect of mutations |
Swart, Marcel
; Johansson, Mikael P.
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1 setembre 2012 |
Density functional study on UV/VIS spectra of copper-protein active sites: the effect of mutations |
Swart, Marcel
; Johansson, Mikael P.
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A density functional study of the spin state energetics of polypyrazolylborato complexes of first-row transition metals |
Gruden-Pavlović, Maja
; Stepanović, Stepan
; Perić, M.
; Güell Serra, Mireia
; Swart, Marcel
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2014 |
A density functional study of the spin state energetics of polypyrazolylborato complexes of first-row transition metals |
Gruden-Pavlović, Maja
; Stepanović, Stepan
; Perić, M.
; Güell Serra, Mireia
; Swart, Marcel
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9 octubre 2023 |
Density functional theory to the rescue of transition-metal chemistry |
Martins, Frederico F.
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13 setembre 2024 |
Development of novel computational protocols for the design of efficient enzymes |
Casadevall Franco, Guillem
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Diels-Alder and Retro-Diels-Alder cycloadditions of (1,2,3,4,5-pentamethyl)cyclopentadiene to La@C2v-C82: Regioselectivity and product stability |
Garcia Borràs, Marc
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
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2013 |
Diels-Alder and Retro-Diels-Alder cycloadditions of (1,2,3,4,5-pentamethyl)cyclopentadiene to La@C2v-C82: Regioselectivity and product stability |
Garcia Borràs, Marc
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
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Dispersion Corrections Essential for the Study of Chemical Reactivity in Fullerenes |
Osuna Oliveras, Sílvia
; Swart, Marcel
; Solà i Puig, Miquel
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2011 |
Dispersion Corrections Essential for the Study of Chemical Reactivity in Fullerenes |
Osuna Oliveras, Sílvia
; Swart, Marcel
; Solà i Puig, Miquel
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Electrochemical control of the regioselectivity in the exohedral functionalization of C60: The role of aromaticity |
Garcia Borràs, Marc
; Osuna Oliveras, Sílvia
; Swart, Marcel
; Luis Luis, Josep Maria
; Solà i Puig, Miquel
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2013 |
Electrochemical control of the regioselectivity in the exohedral functionalization of C60: The role of aromaticity |
Garcia Borràs, Marc
; Osuna Oliveras, Sílvia
; Swart, Marcel
; Luis Luis, Josep Maria
; Solà i Puig, Miquel
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Electrochemical polymerization of iron(III) polypyridyl complexes through C-C coupling of redox non-innocent phenolato ligands |
Unjaroen, Duenpen
; Swart, Marcel
; Browne, Wesley R.
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