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S'han trobat 137 ítems

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Format	Data	Títol	Autor
Format	Data	Títol	Autor
	1 gener 2017	Electrochemical polymerization of iron(III) polypyridyl complexes through C-C coupling of redox non-innocent phenolato ligands	Unjaroen, Duenpen ; Swart, Marcel ; Browne, Wesley R.
		Electronic structure investigation and parametrization of biologically relevant iron-sulfur clusters	Carvalho, Alexandra T P ; Swart, Marcel
		Electronic structure investigation and parametrization of biologically relevant iron-sulfur clusters	Carvalho, Alexandra T.P. ; Swart, Marcel
	13 març 2023	Elucidating the role of conformational dynamics of Aspergillus niger Monoamine oxidase towards enzymatic chiral amines synthesis	Curado Carballada, Christian
		Energetics of charges in organic semiconductors and at organic donor-acceptor interfaces	Gorczak, Natalie ; Swart, Marcel ; Grozema, Ferdinand C.
		Energetics of charges in organic semiconductors and at organic donor-acceptor interfaces	Gorczak, Natalie ; Swart, Marcel ; Grozema, Ferdinand C.
	7 maig 2014	Energetics of charges in organic semiconductors and at organic donor-acceptor interfaces	Gorczak, Natalie ; Swart, Marcel ; Grozema, Ferdinand C.
	10 desembre 2021	Enzymatic and bioinspired iron oxidation chemistry: a computational study	D’Amore, Lorenzo
	juliol 2023	Estudi de la reactivitat d’una caixa M@C36 reaccions Diels-Alder	Romero del Blanco, Daniel
		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 Borràs, Marc ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
	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 Borràs, Marc ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
		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
	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
		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 ; Solà i Puig, Miquel ; Swart, Marcel ; Merino, Gabriel
	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 ; Solà i Puig, Miquel ; Swart, Marcel ; Merino, Gabriel
		The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes	Garcia Borràs, Marc ; Romero Rivera, Adrián ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
	2012	The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes	Garcia Borràs, Marc ; Romero Rivera, Adrián ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Swart, Marcel ; Solà i Puig, Miquel
		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, Sílvia ; Valencia, Ramón ; Rodríguez Fortea, Antonio ; Swart, Marcel ; Solà i Puig, Miquel ; Poblet, Josep M.
		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, Sílvia ; Valencia, Ramon ; Rodríguez Fortea, Antonio ; Swart, Marcel ; Solà i Puig, Miquel ; Poblet, Josep M.
	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, Sílvia ; Valencia, Ramon ; Rodríguez Fortea, Antonio ; Swart, Marcel ; Solà i Puig, Miquel ; Poblet, Josep M.
		Indenyl effect due to metal slippage? Computational exploration of rhodium-catalyzed acetylene [2+2+2] cyclotrimerization	Orian, Laura ; Swart, Marcel ; Bickelhaupt, F. Matthias
	2014	Indenyl effect due to metal slippage? Computational exploration of rhodium-catalyzed acetylene [2+2+2] cyclotrimerization	Orian, Laura ; Swart, Marcel ; Bickelhaupt, F. Matthias
		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, Célia Fonseca
		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, Célia Fonseca
	1 gener 2017	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, Célia Fonseca

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