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Llistar Títols per Matèria "Polarity"

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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
	13 juny 2016	An approach to melanoma classification exploiting polarization information	Rastgoo, Mojdeh
		An approach to melanoma classification exploiting polarization information	Rastgoo, Mojdeh
	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
		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
		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
	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

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