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Format	Data	Títol	Autor
Format	Data	Títol	Autor
		Extent of charge separation and exciton delocalization for electronically excited states in a triphenylamine-C60 donor–acceptor conjugate: a combined molecular dynamics and TD-DFT study	Martínez, Juan Pablo ; Osuna Oliveras, Sílvia ; Solà i Puig, Miquel ; Voityuk, Alexander A.
	2015	Extent of charge separation and exciton delocalization for electronically excited states in a triphenylamine-C60 donor–acceptor conjugate: a combined molecular dynamics and TD-DFT study	Martínez López, Juan Pablo ; Osuna Oliveras, Sílvia ; Solà i Puig, Miquel ; Voityuk, Alexander A.
		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.
		Interplay between R513 methylation and S516 phosphorylation of the cardiac voltage-gated sodium channel	Beltrán-Álvarez, Pedro ; Feixas Geronès, Ferran ; Osuna Oliveras, Sílvia ; Díaz-Hernández, Rubí ; Brugada, Ramon ; Pagans i Lista, Sara
	2015	Interplay between R513 methylation and S516 phosphorylation of the cardiac voltage-gated sodium channel	Beltrán Álvarez, Pedro ; Feixas Geronès, Ferran ; Osuna Oliveras, Sílvia ; Díaz Hernández, Rubí ; Brugada, Ramon ; Pagans i Lista, Sara
		The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes	Garcia Borràs, Marc ; Luis Luis, Josep Maria ; Solà i Puig, Miquel ; Osuna Oliveras, Sílvia
	5 juny 2018	The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes	Garcia Borràs, Marc ; Luis Luis, Josep Maria ; Solà i Puig, Miquel ; Osuna Oliveras, Sílvia
	15 febrer 2020	The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes	Garcia Borràs, Marc ; Luis Luis, Josep Maria ; Solà i Puig, Miquel ; Osuna Oliveras, Sílvia
	1 novembre 2017	The key role of aromaticity in the structure and reactivity of C60 and endohedral metallofullerenes	Garcia Borràs, Marc ; Luis Luis, Josep Maria ; Solà i Puig, Miquel ; Osuna Oliveras, Sílvia
		Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenes	Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Swart, Marcel ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
	2013	Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenes	Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Swart, Marcel ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
		Molecular dynamics explorations of active site structure in designed and evolved enzymes	Osuna Oliveras, Sílvia ; Jiménez-Osés, Gonzalo ; Noey, Elizabeth L. ; Houk, Kendall N.
	2015	Molecular dynamics explorations of active site structure in designed and evolved enzymes	Osuna Oliveras, Sílvia ; Jiménez-Osés, Gonzalo ; Noey, Elizabeth L. ; Houk, Kendall N.
		Molecular Dynamics Simulations of experimentally-evolved halohydrin dehalogenase enzymes for the synthesis of Lipitor	Estévez Gay, Miquel
	setembre 2016	Molecular Dynamics Simulations of experimentally-evolved halohydrin dehalogenase enzymes for the synthesis of Lipitor	Estévez Gay, Miquel
	19 setembre 2023	Multiscalar strategies for the characterization of engineered P450 enzymes	Soler i Parpal, Jordi
	12 juny 2025	Rational design of tryptophan synthases through conformation and correlation-based allosteric networks	Duran Rebenaque, Cristina
	12 juny 2025	Rational design of tryptophan synthases through conformation and correlation-based allosteric networks	Duran Rebenaque, Cristina
		Rationalizing the relative abundances of trimetallic nitride template-based endohedral metallofullerenes from aromaticity measures	Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
		Rationalizing the relative abundances of trimetallic nitride template-based endohedral metallofullerenes from aromaticity measures	Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
	5 juny 2018	Rationalizing the relative abundances of trimetallic nitride template-based endohedral metallofullerenes from aromaticity measures	Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Luis Luis, Josep Maria ; Solà i Puig, Miquel

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