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Format	Data	Títol	Autor
Format	Data	Títol	Autor
	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
		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.
		Fluxional behavior of molecular WMe6 and of silica grafted WMe6	Credendino, Raffaele ; Vignola, Emanuele ; Poater Teixidor, Albert ; Callens, Emmanuel ; Basset, Jean Marie ; Cavallo, Luigi
	9 febrer 2015	Fluxional behavior of molecular WMe6 and of silica grafted WMe6	Credendino, Raffaele ; Vignola, Emanuele ; Poater Teixidor, Albert ; Callens, Emmanuel ; Basset, Jean-Marie ; Cavallo, Luigi
		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.
	1987	Fuzzy set Theory and Quantum Chemistry	Carbó-Dorca, Ramon
		Fuzzy set Theory and Quantum Chemistry	Carbó-Dorca, Ramon
		How carbo-benzenes fit molecules in their inner core as do biologic ion carriers?	Turias, Francesc ; Poater i Teixidor, Jordi ; Chauvin, Remi ; Poater Teixidor, Albert
	febrer 2016	How carbo-benzenes fit molecules in their inner core as do biologic ion carriers?	Turias, Francesc ; Poater i Teixidor, Jordi ; Chauvin, Remi ; Poater Teixidor, Albert
		How does the addition of steric hindrance to a typical N-heterocyclic carbene ligand affect catalytic activity in olefin metathesis?	Poater Teixidor, Albert ; Falivene, Laura ; Urbina-Blanco, Cesar A. ; Manzini, Simone ; Nolan, Steven P. ; Cavallo, Luigi
	2013	How does the addition of steric hindrance to a typical N-heterocyclic carbene ligand affect catalytic activity in olefin metathesis?	Poater Teixidor, Albert ; Falivene, Laura ; Urbina-Blanco, Cesar A. ; Manzini, Simone ; Nolan, Steven P. ; Cavallo, Luigi
		How easy is CO2 fixation by M–C bond containing complexes (M = Cu, Ni, Co, Rh, Ir)?	Vummaleti, Sai Vikrama Chaitanya ; Talarico, Giovanni ; Nolan, Steven P. ; Cavallo, Luigi ; Poater Teixidor, Albert
	2016	How easy is CO2 fixation by M–C bond containing complexes (M = Cu, Ni, Co, Rh, Ir)?	Vummaleti, Sai Vikrama Chaitanya ; Talarico, Giovanni ; Nolan, Steven P. ; Cavallo, Luigi ; Poater Teixidor, Albert
		How phenyl makes a difference : Mechanistic insights into the ruthenium(ii)-catalysed isomerisation of allylic alcohols	Manzini, Simone ; Poater Teixidor, Albert ; Nelson, David J. ; Cavallo, Luigi ; Nolan, Steven P.
		How phenyl makes a difference : Mechanistic insights into the ruthenium(ii)-catalysed isomerisation of allylic alcohols	Manzini, Simone ; Poater Teixidor, Albert ; Nelson, David J. ; Cavallo, Luigi ; Nolan, Steven P.
	2014	How phenyl makes a difference: Mechanistic insights into the ruthenium(ii)-catalysed isomerisation of allylic alcohols	Manzini, Simone ; Poater Teixidor, Albert ; Nelson, David J. ; Cavallo, Luigi ; Nolan, Steven P.
	juliol 2023	Implementation of a fast method for the evaluation of the effect of external electric fields on catalysis	Pey Costa, Guillem
		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
		Influence of base stacking geometry on the nature of excited states in G-quadruplexes: A time-dependent DFT study	Lech, Christopher J. ; Phan, Anh Tuân ; Michel-Beyerle, Maria Elisabeth ; Voityuk, Alexander A.
	2015	Influence of base stacking geometry on the nature of excited states in G-quadruplexes: A time-dependent DFT study	Lech, Christopher J. ; Phan, Anh Tuân ; Michel-Beyerle, Maria Elisabeth ; Voityuk, Alexander A.
		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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