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Format	Data	Títol	Autor
Format	Data	Títol	Autor
	2012	Ab initio absorption spectrum of NiO combining molecular dynamics with the embedded cluster approach in a discrete reaction field	Domingo Toro, Alex ; Rodríguez Fortea, Antonio ; Swart, Marcel ; Graaf, Coen de ; Broer, Ria
		Ab initio absorption spectrum of NiO combining molecular dynamics with the embedded cluster approach in a discrete reaction field	Domingo Toro, Alex ; Rodríguez Fortea, Antonio ; Swart, Marcel ; Graaf, Coen de ; Broer, Ria
	1996	Algorisme d’optimització global de les mesures de semblança quàntica molecular	Carbó-Dorca, Ramon ; Amat Barnés, Lluís ; Constans Nierga, Pere
		Algorisme d’optimització global de les mesures de semblança quàntica molecular	Carbó-Dorca, Ramon ; Amat Barnés, Lluís ; Constans Nierga, Pere
	2000	Anàlisi de Procrustes i alineament molecular	Carbó-Dorca, Ramon ; Robert, David
		Anàlisi de Procrustes i alineament molecular	Carbó-Dorca, Ramon ; Robert, David
	5 juliol 2010	Anatomy of Bond Formation. Insights from the Analysis of Domain-Averaged Fermi Holes in Momentum Space	Ponec, Robert
	8 juliol 2010	Anharmonicity as a possible explenation of the Eigen-Zundel dilema in the IR spectrum of H+(H2O)21	Torrent Sucarrat, Miquel
	7 juliol 2010	Applying quantum chemistry to solids and liquids	Allan, Neil
	8 juliol 2010	Aromaticity and the electron localization function, ELF	Fuentealba, Patricio
	7 juliol 2010	Atomistic modeling of multimillion atom nanostructures	Zielinski, Michal
	2005	Basis set effects on the energy and hardness profiles of the hydrogen fluoride dimer	Torrent Sucarrat, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
		Basis set effects on the energy and hardness profiles of the hydrogen fluoride dimer	Torrent Sucarrat, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
	6 juliol 2010	Benchmark full configuration interaction calculations for the ground state of three-electron harmonium atoms	Matito i Gras, Eduard
	6 juliol 2010	Benchmark full configuration interaction calculations on harmonium atoms	Cioslowski, Jerzy
	7 juliol 2010	Carbones, silylones, germylones, stannylones	Frenking, Gernot
		Characterization and quantification of polyradical character	Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro
		Characterization and quantification of polyradical character	Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro
	2014	Characterization and quantification of polyradical character	Ramos Cordoba, Eloy ; Salvador Sedano, Pedro
	8 juliol 2010	Closing	Solà i Puig, Miquel
		Complete σ* intramolecular aromatic hydroxylation mechanism through O2 activation by a Schiff base macrocyclic dicopper (I) complex	Poater Teixidor, Albert ; Solà i Puig, Miquel
		Complete σ* intramolecular aromatic hydroxylation mechanism through O2 activation by a Schiff base macrocyclic dicopper (I) complex	Poater Teixidor, Albert ; Solà i Puig, Miquel
	2013	Complete σ* intramolecular aromatic hydroxylation mechanism through O2 activation by a Schiff base macrocyclic dicopper (I) complex	Poater Teixidor, Albert ; Solà i Puig, Miquel
		Complexes of adamantine-based group 13 Lewis acids and superacids: bonding analysis and thermodynamics of hydrogen splitting	El Hamdi Lahfid, Majid ; Solà i Puig, Miquel ; Poater i Teixidor, Jordi ; Timoshkin, A.
		Complexes of adamantine-based group 13 Lewis acids and superacids: bonding analysis and thermodynamics of hydrogen splitting	El Hamdi Lahfid, Majid ; Solà i Puig, Miquel ; Poater i Teixidor, Jordi ; Timoshkin, A.

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