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Llistar Títols per Matèria "Molecular orbitals"

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Format	Data	Títol	Autor
Format	Data	Títol	Autor
		Aplicació de la semblança molecular quàntica en la reducció de l’espai configuracional per a l’estat fonamental i primers excitats de l’àtom d’Heli	Carbó-Dorca, Ramon ; Bach, A.
	2000	Aplicació de la semblança molecular quàntica en la reducció de l’espai configuracional per a l’estat fonamental i primers excitats de l’àtom d’Heli	Carbó-Dorca, Ramon ; Bach, Albert
	2009	Effective atomic orbitals for fuzzy atoms	Mayer, István ; Salvador Sedano, Pedro
		Effective atomic orbitals for fuzzy atoms	Mayer, István ; Salvador Sedano, Pedro
		Electron Localization Function at the Correlated Level: A Natural Orbital Formulation	Feixas Geronès, Ferran ; Matito i Gras, Eduard ; Duran i Portas, Miquel ; Solà i Puig, Miquel ; Silvi, Bernard
	2010	Electron Localization Function at the Correlated Level: A Natural Orbital Formulation	Feixas Geronès, Ferran ; Matito i Gras, Eduard ; Duran i Portas, Miquel ; Solà i Puig, Miquel ; Silvi, Bernard
	2004	Energy partitioning for "fuzzy" atoms	Salvador Sedano, Pedro ; Mayer, István
		Energy partitioning for "fuzzy" atoms	Salvador Sedano, Pedro ; Mayer, István
	2005	Estimates of electronic coupling for excess electron transfer in DNA	Voityuk, Alexander A.
		Estimates of electronic coupling for excess electron transfer in DNA	Voityuk, Alexander A.
		Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch	Torrent Sucarrat, Miquel ; Anglada, Josep M. ; Luis Luis, Josep Maria
		Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch	Torrent Sucarrat, Miquel ; Anglada, Josep M. ; Luis Luis, Josep Maria
	1 juny 2018	Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch
	5 juny 2018	Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch	Torrent Sucarrat, Miquel ; Anglada, Josep M. ; Luis Luis, Josep Maria
	2012	Evaluation of the nonlinear optical properties for an expanded porphyrin Hückel-Möbius aromaticity switch	Torrent Sucarrat, Miquel ; Anglada, Josep M. ; Luis Luis, Josep Maria
	1996	How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?	Simon i Rabasseda, Sílvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
		How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?	Simon i Rabasseda, Sílvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
	2003	Negative Fukui functions: new insights based on electronegativity equalization	Bultinck, Patrick ; Carbó-Dorca, Ramon ; Langenaeker, Wilfried
		Negative Fukui functions: new insights based on electronegativity equalization	Bultinck, Patrick ; Carbó-Dorca, Ramon ; Langenaeker, Wilfried
		One- and two-center energy components in the atoms in molecules theory	Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Mayer, István
		One- and two-center energy components in the atoms in molecules theory	Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Mayer, István
	1 juny 2018	One- and two-center energy components in the atoms in molecules theory
	5 juny 2018	One- and two-center energy components in the atoms in molecules theory	Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Mayer, István
	2001	One- and two-center energy components in the atoms in molecules theory	Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Mayer, István
	2007	One- and two-center physical space partitioning of the energy in the density functional theory	Salvador Sedano, Pedro ; Mayer, István

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