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S'han trobat 153 ítems

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Format	Data	Títol	Autor
Format	Data	Títol	Autor
	2000	Anharmonicity contributions to the vibrational second hyperpolarizability of conjugated oligomers	Champagne, Benoît ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Andrés, José Luís ; Kirtman, Bernard
		Anharmonicity contributions to the vibrational second hyperpolarizability of conjugated oligomers	Champagne, Benoît ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Andrés, José Luís ; Kirtman, Bernard
	2002	Are the maximum hardness and minimum polarizability principles always obeyed in nontotally symmetric vibrations?	Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Solà i Puig, Miquel
		Are the maximum hardness and minimum polarizability principles always obeyed in nontotally symmetric vibrations?	Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Solà i Puig, Miquel
		The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization	Matito i Gras, Eduard ; Duran i Portas, Miquel ; Solà i Puig, Miquel
	2005	The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization	Matito i Gras, Eduard ; Duran i Portas, Miquel ; Solà i Puig, Miquel
		The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization	Matito i Gras, Eduard ; Duran i Portas, Miquel ; Solà i Puig, Miquel
	5 juny 2018	The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization	Matito i Gras, Eduard ; Duran i Portas, Miquel ; Solà i Puig, Miquel
		Aromaticity measures from Fuzzy-atom Bond Orders (FBO). The aromatic fluctuation (FLU) and the para-delocalization (PDI) indexes	Matito i Gras, Eduard ; Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Solà i Puig, Miquel
	2006	Aromaticity measures from Fuzzy-atom Bond Orders (FBO). The aromatic fluctuation (FLU) and the para-delocalization (PDI) indexes	Matito i Gras, Eduard ; Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Solà i Puig, Miquel
	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
		Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules	Torrent Sucarrat, Miquel ; Solà i Puig, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Kirtman, Bernard
	15 febrer 2020	Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules	Torrent Sucarrat, Miquel ; Solà i Puig, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Kirtman, Bernard
	25 març 2004	Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules	Torrent Sucarrat, Miquel ; Solà i Puig, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Kirtman, Bernard
	1999	Basis set superposition error-counterpoise corrected potential energy surfaces : application to hydrogen peroxide ... X (X=F-, Cl-, Br-, Li+, Na+) complexes	Daza, Martha C. ; Dobado, J. A. ; Molina Molina, José ; Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Villaveces, José Luis
		Basis set superposition error-counterpoise corrected potential energy surfaces : application to hydrogen peroxide ... X (X=F-, Cl-, Br-, Li+, Na+) complexes	Daza, Martha C. ; Dobado, J. A. ; Molina Molina, José ; Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Villaveces, José Luis
	5 febrer 2010	Basis set superposition error effects, excited-state potential energy surface and photodynamics of thymine	Asturiol Bofill, David
		Basis set superposition error effects, excited-state potential energy surface and photodynamics of thymine	Asturiol Bofill, David
		Buckycatcher. A New Opportunity for Charge-Transfer Mediation?	Voityuk, Alexander A. ; Duran i Portas, Miquel
	2008	Buckycatcher. A New Opportunity for Charge-Transfer Mediation?	Voityuk, Alexander A. ; Duran i Portas, Miquel
	juny 2018	Characterization of non-coding genetic vairants associated with Brugada Syndrome: research and communication	Torrecillas Sanllehí, Anna
		A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components	Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Fradera i Llinàs, Xavier
	2002	A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components	Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Fradera i Llinàs, Xavier
	15 febrer 2020	A chemical Hamiltonian approach study of the basis set superposition error changes on electron densities and one- and two-center energy components	Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Fradera i Llinàs, Xavier

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