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Listing items with Subject "Approximation theory"

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Format	Date	Title	Author
Format	Date	Title	Author
	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
	2018 June 1	Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization
	2018 June 5	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
	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
	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
	2002	Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties	Torrent Sucarrat, Miquel ; Solà i Puig, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Kirtman, Bernard
		Initial convergence of the perturbation series expansion for vibrational nonlinear optical properties	Torrent Sucarrat, Miquel ; Solà i Puig, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Kirtman, Bernard
		Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory	Poater i Teixidor, Jordi ; Van Lenthe, Erik ; Baerends, Evert Jan
	2003	Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory	Poater i Teixidor, Jordi ; Lenthe, Erik van‏ ; Baerends, Evert Jan
	2018 June 1	Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory
	2018 June 5	Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory	Poater i Teixidor, Jordi ; Lenthe, Erik van‏ ; Baerends, Evert Jan
	2020 February 15	Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory	Poater i Teixidor, Jordi ; Lenthe, Erik van‏ ; Baerends, Evert Jan
	1997	The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules	Fradera i Llinàs, Xavier ; Duran i Portas, Miquel ; Mestres i López, Jordi
		The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules	Fradera i Llinàs, Xavier ; Duran i Portas, Miquel ; Mestres i López, Jordi
	2020 February 15	The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules	Fradera i Llinàs, Xavier ; Duran i Portas, Miquel ; Mestres i López, Jordi
	2007	Variational calculation of static and dynamic vibrational nonlinear optical properties	Luis Luis, Josep Maria ; Torrent Sucarrat, Miquel ; Christiansen, Ove ; Kirtman, Bernard
		Variational calculation of static and dynamic vibrational nonlinear optical properties	Luis Luis, Josep Maria ; Torrent Sucarrat, Miquel ; Christiansen, Ove ; Kirtman, Bernard
	2005	Variational calculation of vibrational linear and nonlinear optical properties	Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Kirtman, Bernard
		Variational calculation of vibrational linear and nonlinear optical properties	Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Kirtman, Bernard

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Listing items with Subject "Approximation theory"

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