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2017 January 1 |
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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Electronic structure investigation and parametrization of biologically relevant iron-sulfur clusters |
Carvalho, Alexandra T P
; Swart, Marcel
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Electronic structure investigation and parametrization of biologically relevant iron-sulfur clusters |
Carvalho, Alexandra T.P.
; Swart, Marcel
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2023 March 13 |
Elucidating the role of conformational dynamics of Aspergillus niger Monoamine oxidase towards enzymatic chiral amines synthesis |
Curado Carballada, Christian
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Energetics of charges in organic semiconductors and at organic donor-acceptor interfaces |
Gorczak, Natalie
; Swart, Marcel
; Grozema, Ferdinand C.
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Energetics of charges in organic semiconductors and at organic donor-acceptor interfaces |
Gorczak, Natalie
; Swart, Marcel
; Grozema, Ferdinand C.
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2014 May 7 |
Energetics of charges in organic semiconductors and at organic donor-acceptor interfaces |
Gorczak, Natalie
; Swart, Marcel
; Grozema, Ferdinand C.
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2021 December 10 |
Enzymatic and bioinspired iron oxidation chemistry: a computational study |
D’Amore, Lorenzo
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2023 July |
Estudi de la reactivitat d’una caixa M@C36 reaccions Diels-Alder |
Romero del Blanco, Daniel
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The Exohedral Diels–Alder Reactivity of the Titanium Carbide Endohedral Metallofullerene Ti2C2@D3h-C78: Comparison with D3h-C78 and M3N@D3h-C78 (M=Sc and Y) Reactivity |
Garcia BorrĂ s, Marc
; Osuna Oliveras, SĂlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; SolĂ i Puig, Miquel
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2012 |
The Exohedral Diels–Alder Reactivity of the Titanium Carbide Endohedral Metallofullerene Ti2C2@D3h-C78: Comparison with D3h-C78 and M3N@D3h-C78 (M=Sc and Y) Reactivity |
Garcia BorrĂ s, Marc
; Osuna Oliveras, SĂlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; SolĂ i Puig, Miquel
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Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino) benzaldehyde |
Čobeljić, Božidar
; Pevec, Andrej
; Stepanović, Stepan
; Spasojević, Vojislav
; Milenković, Milica
; Turel, Iztok
; Swart, Marcel
; Gruden-Pavlović, Maja
; Adaila, Kawther
; Anelković, Katarina
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2015 |
Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino) benzaldehyde |
Čobeljić, Božidar
; Pevec, Andrej
; Stepanović, Stepan
; Spasojević, Vojislav
; Milenković, Milica
; Turel, Iztok
; Swart, Marcel
; Gruden-Pavlović, Maja
; Adaila, Kawther
; Andjelković, Katarina
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Exploring the potential energy surface of E2P4 clusters (E=Group 13 element): The quest for inverse carbon-free sandwiches |
Castro Aguilera, Abril Carolina
; Osorio, Edison
; Cabellos, José Luis
; Cerpa, Erick
; Matito i Gras, Eduard
; SolĂ i Puig, Miquel
; Swart, Marcel
; Merino, Gabriel
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2014 |
Exploring the potential energy surface of E2P4 clusters (E=Group 13 element): The quest for inverse carbon-free sandwiches |
Castro Aguilera, Abril Carolina
; Osorio, Edison
; Cabellos, José Luis
; Cerpa, Erick
; Matito i Gras, Eduard
; SolĂ i Puig, Miquel
; Swart, Marcel
; Merino, Gabriel
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The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes |
Garcia BorrĂ s, Marc
; Romero Rivera, Adrián
; Osuna Oliveras, SĂlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; SolĂ i Puig, Miquel
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2012 |
The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes |
Garcia BorrĂ s, Marc
; Romero Rivera, Adrián
; Osuna Oliveras, SĂlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; SolĂ i Puig, Miquel
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Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster |
Osuna Oliveras, SĂlvia
; Valencia, RamĂłn
; RodrĂguez Fortea, Antonio
; Swart, Marcel
; SolĂ i Puig, Miquel
; Poblet, Josep M.
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Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster |
Osuna Oliveras, SĂlvia
; Valencia, Ramon
; RodrĂguez Fortea, Antonio
; Swart, Marcel
; SolĂ i Puig, Miquel
; Poblet, Josep M.
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2012 |
Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster |
Osuna Oliveras, SĂlvia
; Valencia, Ramon
; RodrĂguez Fortea, Antonio
; Swart, Marcel
; SolĂ i Puig, Miquel
; Poblet, Josep M.
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Indenyl effect due to metal slippage? Computational exploration of rhodium-catalyzed acetylene [2+2+2] cyclotrimerization |
Orian, Laura
; Swart, Marcel
; Bickelhaupt, F. Matthias
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2014 |
Indenyl effect due to metal slippage? Computational exploration of rhodium-catalyzed acetylene [2+2+2] cyclotrimerization |
Orian, Laura
; Swart, Marcel
; Bickelhaupt, F. Matthias
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The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A-T and A-U base pairs |
Castro Aguilera, Abril Carolina
; Swart, Marcel
; Guerra, CĂ©lia Fonseca
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The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A-T and A-U base pairs |
Castro Aguilera, Abril Carolina
; Swart, Marcel
; Guerra, CĂ©lia Fonseca
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2017 January 1 |
The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A-T and A-U base pairs |
Castro Aguilera, Abril Carolina
; Swart, Marcel
; Guerra, CĂ©lia Fonseca
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