Estructura electronica

Listing items with Subject "Estructura electronica"

25 items found

Showing titles from 0 to 25:

  1   
FormatDateTitleAuthor
FormatDateTitleAuthor
doc icon DUGiDocs 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 ; Sol脿 i Puig, Miquel
out url icon Recercat 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 ; Sol脿 i Puig, Miquel
out url icon Recercat The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization Matito i Gras, Eduard ; Duran i Portas, Miquel ; Sol脿 i Puig, Miquel
doc icon DUGiDocs 2005 The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization Matito i Gras, Eduard ; Duran i Portas, Miquel ; Sol脿 i Puig, Miquel
out url icon Recercat The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization Matito i Gras, Eduard ; Duran i Portas, Miquel ; Sol脿 i Puig, Miquel
out url icon Recercat 2018 June 1 The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization
out url icon Recercat 2018 June 5 The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization Matito i Gras, Eduard ; Duran i Portas, Miquel ; Sol脿 i Puig, Miquel
doc icon DUGiDocs 2018 May 7 Computational chemistry applied to hydrocarbon functionalization by iron catalysts, oxidation state characterization, and electrides design Postils Rib贸, Ver貌nica
out url icon Recercat Critical analysis and extension of the Hirshfeld atoms in molecules Bultinck, Patrick ; Van Alsenoy, Christian ; Ayers, Paul W. ; Carb贸-Dorca, Ramon
doc icon DUGiDocs 2007 Critical analysis and extension of the Hirshfeld atoms in molecules Bultinck, Patrick ; Alsenoy, Christian聽van ; Ayers, Paul W. ; Carb贸-Dorca, Ramon
out url icon Recercat 2018 June 1 Critical analysis and extension of the Hirshfeld atoms in molecules
out url icon Recercat 2018 June 5 Critical analysis and extension of the Hirshfeld atoms in molecules Bultinck, Patrick ; Alsenoy, Christian聽van ; Ayers, Paul W. ; Carb贸-Dorca, Ramon
out url icon Recercat 2020 February 15 Critical analysis and extension of the Hirshfeld atoms in molecules Bultinck, Patrick ; Alsenoy, Christian聽van ; Ayers, Paul W. ; Carb贸-Dorca, Ramon
out url icon DUGiDocs 2023 October 9 Density functional theory to the rescue of transition-metal chemistry Martins, Frederico F.
out url icon Recercat Development of new tools for local electron distribution analysis Ramos-Cordoba, Eloy
doc icon DUGiDocs 2014 April 11 Development of new tools for local electron distribution analysis Ramos Cordoba, Eloy
doc icon DUGiDocs 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 ; Sol脿 i Puig, Miquel
out url icon Recercat 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 ; Sol脿 i Puig, Miquel
out url icon Recercat 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 ; Sol脿 i Puig, Miquel
out url icon Recercat Local spin analysis and chemical bonding Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro ; Reiher, Markus
doc icon DUGiDocs 2013 November 4 Local spin analysis and chemical bonding Ramos Cordoba, Eloy ; Salvador Sedano, Pedro ; Reiher, Markus
out url icon Recercat 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 Jos茅, Llu铆s ; Kirk, Steven R ; Bearpark, Michael J.
doc icon DUGiDocs 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 Jos茅, Llu铆s ; Kirk, Steven R ; Bearpark, Michael J.
doc icon DUGiDocs 2006 Selected configuration interaction with truncation energy error and application to the Ne atom Bunge, Carlos F.
out url icon Recercat Selected configuration interaction with truncation energy error and application to the Ne atom Bunge, Carlos F.
  1   

Subjects

Authors