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Format	Data	Títol	Autor
Format	Data	Títol	Autor
	2004	Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization	Theodoor De Jong, G. ; Solà i Puig, Miquel ; Visscher, Lucas T. ; Bickelhaupt, Friedrich Matthias
		Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization	Theodoor De Jong, G. ; Solà i Puig, Miquel ; Visscher, Lucas T. ; Bickelhaupt, F. Matthias
		Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization	Theodoor De Jong, G. ; Solà i Puig, Miquel ; Visscher, Lucas T. ; Bickelhaupt, F. Matthias
	1 juny 2018	Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization
	5 juny 2018	Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization	Theodoor De Jong, G. ; Solà i Puig, Miquel ; Visscher, Lucas T. ; Bickelhaupt, F. Matthias
	1998	Additional compact formulas for vibrational dynamic dipole polarizabilities and hyperpolarizabilities	Bishop, David M. ; Luis Luis, Josep Maria ; Kirtman, Bernard
		Additional compact formulas for vibrational dynamic dipole polarizabilities and hyperpolarizabilities	Bishop, David M. ; Luis Luis, Josep Maria ; Kirtman, Bernard
	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
		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
	2005	Calculation of Franck-Condon factors including anharmonicity: simulation of the C2 H4+ X̃2B 3u←C2 H4X̃1 Ag band in the photoelectron spectrum of ethylene	Luis Luis, Josep Maria ; Torrent Sucarrat, Miquel ; Solà i Puig, Miquel ; Bishop, David M. ; Kirtman, Bernard
		Calculation of Franck-Condon factors including anharmonicity: simulation of the C2 H4+ X̃2B 3u←C2 H4X̃1 Ag band in the photoelectron spectrum of ethylene	Luis Luis, Josep Maria ; Torrent Sucarrat, Miquel ; Solà i Puig, Miquel ; Bishop, David M. ; Kirtman, Bernard
	1993	A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration	Martí, Josep ; Bishop, David M.
		A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration	Martí, Josep ; Bishop, David M.
	2000	Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates	Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Champagne, Benoît ; Kirtman, Bernard
		Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates	Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Champagne, Benoît ; Kirtman, Bernard
	2010	Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene	Zalésny, Robert ; Bulik, Ireneusz W. ; Bartkowiak, Wojciech ; Luis Luis, Josep Maria ; Avramopoulos, Aggelos ; Papadopoulos, Manthos G. ; Krawczyk, Przemyslaw
		Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene	Zalésny, Robert ; Bulik, Ireneusz W. ; Bartkowiak, Wojciech ; Luis Luis, Josep Maria ; Avramopoulos, Aggelos ; Papadopoulos, Manthos G. ; Krawczyk, Przemyslaw
		Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene	Zalésny, Robert ; Bulik, Ireneusz W. ; Bartkowiak, Wojciech ; Luis Luis, Josep Maria ; Avramopoulos, Aggelos ; Papadopoulos, Manthos G. ; Krawczyk, Przemyslaw
	1 juny 2018	Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene
	5 juny 2018	Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene	Zaleśny, Robert ; Bulik, Ireneusz W. ; Bartkowiak, Wojciech ; Luis Luis, Josep Maria ; Avramopoulos, Aggelos ; Papadopoulos, Manthos G. ; Krawczyk, Przemyslaw
	15 febrer 2020	Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene	Zaleśny, Robert ; Bulik, Ireneusz W. ; Bartkowiak, Wojciech ; Luis Luis, Josep Maria ; Avramopoulos, Aggelos ; Papadopoulos, Manthos G. ; Krawczyk, Przemyslaw
	2001	Field-induced coordinates for the determination of dynamic vibrational nonlinear optical properties	Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Kirtman, Bernard

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