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doc icon DUGiDocs 2011 Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds Feixas Geronès, Ferran ; Vandenbussche, Jelle ; Bultinck, Patrick ; Matito i Gras, Eduard ; Solà i Puig, Miquel
doc icon DUGiDocs 2006 Electron localization function at the correlated level Matito i Gras, Eduard ; Silvi, Bernard ; Duran i Portas, Miquel ; SolĂ  i Puig, Miquel
out url icon Recercat Electron localization function at the correlated level Matito i Gras, Eduard ; Silvi, Bernard ; Duran i Portas, Miquel ; SolĂ  i Puig, Miquel
out url icon Recercat 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
doc icon DUGiDocs 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
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 ; SolĂ  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 ; SolĂ  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 ; SolĂ  i Puig, Miquel
doc icon DUGiDocs 2014 Exploring the potential energy surface of E2P4 clusters (E=Group 13 element): The quest for inverse carbon-free sandwiches Castro Aguilera, Abril Carolina ; Osorio, Edison ; Cabellos, José Luis ; Cerpa, Erick ; Matito i Gras, Eduard ; Solà i Puig, Miquel ; Swart, Marcel ; Merino, Gabriel
out url icon Recercat Exploring the potential energy surface of E2P4 clusters (E=Group 13 element): The quest for inverse carbon-free sandwiches Castro Aguilera, Abril Carolina ; Osorio, Edison ; Cabellos, José Luis ; Cerpa, Erick ; Matito i Gras, Eduard ; Solà i Puig, Miquel ; Swart, Marcel ; Merino, Gabriel
doc icon DUGiDocs 2012 Local spins: improved Hilbert-space analysis Ramos-Cordoba, Eloy ; Matito i Gras, Eduard ; Salvador Sedano, Pedro ; Mayer, István
out url icon Recercat Local spins: improved Hilbert-space analysis Ramos-Cordoba, Eloy ; Matito i Gras, Eduard ; Salvador Sedano, Pedro ; Mayer, István
doc icon DUGiDocs 2012 Molecular structures of M2N22- (M and N = B, Al, and Ga) clusters using the gradient embedded genetic algorithm Islas, Rafael ; Poater i Teixidor, Jordi ; Matito i Gras, Eduard ; SolĂ  i Puig, Miquel
out url icon Recercat Molecular structures of M2N22- (M and N = B, Al, and Ga) clusters using the gradient embedded genetic algorithm Islas, Rafael ; Poater i Teixidor, Jordi ; Matito i Gras, Eduard ; SolĂ  i Puig, Miquel
out url icon Recercat New approximation to the third-order density : application to the calculation of correlated multicenter indices Feixas Geronès, Ferran ; Solà i Puig, Miquel ; Barroso, Juan Manuel ; Ugalde, Jesus M. ; Matito i Gras, Eduard
doc icon DUGiDocs 2014 New approximation to the third-order density: application to the calculation of correlated multicenter indices Feixas Geronès, Ferran ; Solà i Puig, Miquel ; Barroso, Juan Manuel ; Ugalde, Jesus M. ; Matito i Gras, Eduard
out url icon Recercat New approximation to the third-order density: application to the calculation of correlated multicenter indices Feixas Geronès, Ferran ; Solà i Puig, Miquel ; Barroso, Juan Manuel ; Ugalde, Jesus M. ; Matito i Gras, Eduard
doc icon DUGiDocs 2015 June New Cu-based Dyes for application in Dye Sensitized Solar Cells (DSSC), Organic Light Emitting Diodes (OLEDs) and water splitting : an experimental and computational study Casademont Reig, Irene
out url icon Recercat New Cu-based Dyes for application in Dye Sensitized Solar Cells (DSSC), Organic Light Emitting Diodes (OLEDs) and water splitting : an experimental and computational study Casademont Reig, Irene
doc icon DUGiDocs 2015 February 12 On the existence and characterization of molecular electrides Postils, Verònica ; Garcia Borràs, Marc ; Solà i Puig, Miquel ; Luis Luis, Josep Maria ; Matito i Gras, Eduard
out url icon Recercat On the existence and characterization of molecular electrides Postils, Verònica ; Garcia Borràs, Marc ; Solà i Puig, Miquel ; Luis Luis, Josep Maria ; Matito i Gras, Eduard
out url icon Recercat On the existence and characterization of molecular electrides Postils, Verònica ; Garcia Borràs, Marc ; Solà i Puig, Miquel ; Luis Luis, Josep Maria ; Matito i Gras, Eduard
out url icon Recercat 2018 June 5 On the existence and characterization of molecular electrides Postils, Verònica ; Garcia Borràs, Marc ; Solà i Puig, Miquel ; Luis Luis, Josep Maria ; Matito i Gras, Eduard
doc icon DUGiDocs 2012 Performance of PNOF5 Natural Orbital Functional for Radical Formation Reactions: Hydrogen Atom Abstraction and C–C and O–O Homolytic Bond Cleavage in Selected Molecule Lopez, Xabier ; Ruipérez, Fernando ; Piris, Mario ; Matxain, Jon M. ; Matito i Gras, Eduard ; Ugalde, Jesus M.
doc icon DUGiDocs 2015 Quantifying Aromaticity with Electron Delocalisation Measures Feixas Geronès, Ferran ; Matito i Gras, Eduard ; Poater i Teixidor, Jordi ; Solà i Puig, Miquel
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