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2013 October 25 |
A complete guide on the influence of metal clusters in the diels-alder regioselectivity of Ih-C80 endohedral metallofullerenes |
Garcia BorrĂ s, Marc
; Osuna Oliveras, SĂlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; SolĂ i Puig, Miquel
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2018 December 18 |
Computational studies of enzymatic and biomimetic catalysts |
Romero Rivera, Adrian
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2017 November 17 |
Computational study of nuclear magnetic shielding constants |
Castro Aguilera, Abril Carolina
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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
; GĂĽell Serra, Mireia
; Swart, Marcel
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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
; GĂĽell Serra, Mireia
; Swart, Marcel
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2013 July 22 |
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 BorrĂ s, Marc
; Luis Luis, Josep Maria
; Swart, Marcel
; SolĂ i Puig, Miquel
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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 BorrĂ s, Marc
; Luis Luis, Josep Maria
; Swart, Marcel
; SolĂ i Puig, Miquel
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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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2012 September 1 |
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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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.
; GĂĽell Serra, Mireia
; Swart, Marcel
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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.
; GĂĽell Serra, Mireia
; Swart, Marcel
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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 BorrĂ s, Marc
; Luis Luis, Josep Maria
; Swart, Marcel
; SolĂ i Puig, Miquel
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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 BorrĂ s, Marc
; Luis Luis, Josep Maria
; Swart, Marcel
; SolĂ i Puig, Miquel
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Dispersion Corrections Essential for the Study of Chemical Reactivity in Fullerenes |
Osuna Oliveras, SĂlvia
; Swart, Marcel
; SolĂ i Puig, Miquel
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2011 |
Dispersion Corrections Essential for the Study of Chemical Reactivity in Fullerenes |
Osuna Oliveras, SĂlvia
; Swart, Marcel
; SolĂ i Puig, Miquel
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2013 |
Electrochemical control of the regioselectivity in the exohedral functionalization of C60: The role of aromaticity |
Garcia BorrĂ s, Marc
; Osuna Oliveras, SĂlvia
; Swart, Marcel
; Luis Luis, Josep Maria
; SolĂ i Puig, Miquel
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Electrochemical control of the regioselectivity in the exohedral functionalization of C60: The role of aromaticity |
Garcia BorrĂ s, Marc
; Osuna Oliveras, SĂlvia
; Swart, Marcel
; Luis Luis, Josep Maria
; SolĂ 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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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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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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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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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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