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Llistar Títols per Matèria "Electronic structure"

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Format	Data	Títol	Autor
Format	Data	Títol	Autor
	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
	1 juny 2018	The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization
	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
	7 maig 2018	Computational chemistry applied to hydrocarbon functionalization by iron catalysts, oxidation state characterization, and electrides design	Postils Ribó, Verònica
		Critical analysis and extension of the Hirshfeld atoms in molecules	Bultinck, Patrick ; Van Alsenoy, Christian ; Ayers, Paul W. ; Carbó-Dorca, Ramon
	2007	Critical analysis and extension of the Hirshfeld atoms in molecules	Bultinck, Patrick ; Alsenoy, Christian van ; Ayers, Paul W. ; Carbó-Dorca, Ramon
	1 juny 2018	Critical analysis and extension of the Hirshfeld atoms in molecules
	5 juny 2018	Critical analysis and extension of the Hirshfeld atoms in molecules	Bultinck, Patrick ; Alsenoy, Christian van ; Ayers, Paul W. ; Carbó-Dorca, Ramon
	15 febrer 2020	Critical analysis and extension of the Hirshfeld atoms in molecules	Bultinck, Patrick ; Alsenoy, Christian van ; Ayers, Paul W. ; Carbó-Dorca, Ramon
	9 octubre 2023	Density functional theory to the rescue of transition-metal chemistry	Martins, Frederico F.
		Development of new tools for local electron distribution analysis	Ramos-Cordoba, Eloy
	11 abril 2014	Development of new tools for local electron distribution analysis	Ramos Cordoba, Eloy
	2006	Erratum: "The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization" [J. Chem Phys. 122, 014109 (2005)]	Matito i Gras, Eduard ; Duran i Portas, Miquel ; Solà i Puig, Miquel
		Erratum: "The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization" [J. Chem Phys. 122, 014109 (2005)]	Matito i Gras, Eduard ; Duran i Portas, Miquel ; Solà i Puig, Miquel
		Erratum: "The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization" [J. Chem Phys. 122, 014109 (2005)]	Matito i Gras, Eduard ; Duran i Portas, Miquel ; Solà i Puig, Miquel
		Local spin analysis and chemical bonding	Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro ; Reiher, Markus
	4 novembre 2013	Local spin analysis and chemical bonding	Ramos Cordoba, Eloy ; Salvador Sedano, Pedro ; Reiher, Markus
		The response of the electronic structure to electronic excitation and double bond torsion in fulvene: A combined QTAIM, stress tensor and MO perspective	Jenkins, Samantha ; Blancafort San José, Lluís ; Kirk, Steven R ; Bearpark, Michael J.
	2014	The response of the electronic structure to electronic excitation and double bond torsion in fulvene: A combined QTAIM, stress tensor and MO perspective	Jenkins, Samantha ; Blancafort San José, Lluís ; Kirk, Steven R ; Bearpark, Michael J.
	2006	Selected configuration interaction with truncation energy error and application to the Ne atom	Bunge, Carlos F.
		Selected configuration interaction with truncation energy error and application to the Ne atom	Bunge, Carlos F.

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