Llistar Títols per Autor "Matito i Gras, Eduard"

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doc icon TDX 4 febrer 2011 Analysis of chemical bonding and aromaticity from electronic delocalization descriptors Feixas Geronès, Ferran
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 ; Solà 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 ; Solà i Puig, Miquel
doc icon DUGiDocs 2006 Aromaticity measures from Fuzzy-atom Bond Orders (FBO). The aromatic fluctuation (FLU) and the para-delocalization (PDI) indexes Matito i Gras, Eduard ; Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Solà i Puig, Miquel
doc icon DUGiDocs 2013 Benchmark calculations of metal carbonyl cations: Relativistic vs. electron correlation effects Matito i Gras, Eduard ; Salvador Sedano, Pedro ; Styszyński, Jacek
doc icon DUGiDocs 2014 Benchmark calculations on the lowest-energy singlet, triplet, and quintet states of the four-electron harmonium atom Cioslowski, Jerzy ; Strasburger, Krzysztof ; Matito i Gras, Eduard
out url icon Recercat Benchmark calculations on the lowest-energy singlet, triplet, and quintet states of the four-electron harmonium atom Cioslowski, Jerzy ; Strasburger, Krzysztof ; Matito i Gras, Eduard
media icon DUGiMedia 6 juliol 2010 Benchmark full configuration interaction calculations for the ground state of three-electron harmonium atoms Matito i Gras, Eduard
doc icon DUGiDocs 17 abril 2016 Bonding description of the Harpoon mechanism Rodríguez Mayorga, Mauricio ; Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro ; Solà i Puig, Miquel ; Matito i Gras, Eduard
out url icon Recercat A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity Solà i Puig, Miquel ; Feixas Geronès, Ferran ; Jiménez Halla, José Óscar Carlos ; Matito i Gras, Eduard ; Poater i Teixidor, Jordi
doc icon DUGiDocs 2010 A Critical Assessment of the Performance of Magnetic and Electronic Indices of Aromaticity Solà i Puig, Miquel ; Feixas Geronès, Ferran ; Jiménez Halla, José Óscar Carlos ; Matito i Gras, Eduard ; Poater i Teixidor, Jordi
doc icon DUGiDocs 7 juliol 2006 Development, implementation and application of electronic structural descriptors to the analysis of the chemical bonding, aromaticity and chemical reactivity Matito i Gras, Eduard
doc icon TDX 7 juliol 2006 Development, implementation and application of electronic structural descriptors to the analysis of the chemical bonding, aromaticity and chemical reactivity Matito i Gras, Eduard
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 ; Solà i Puig, Miquel
out url icon Recercat Electron localization function at the correlated level Matito i Gras, Eduard ; Silvi, Bernard ; Duran i Portas, Miquel ; Solà i Puig, Miquel
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 ; Solà 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 ; Solà 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
doc icon DUGiDocs 2012 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 ; Solà 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
doc icon DUGiDocs juny 2015 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
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