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DUGi: Browse by Title | (dc.creator:"Matito i Gras, Eduard" OR dc.contributor:"Matito i Gras, Eduard" OR dc.contributor.other:"Matito i Gras, Eduard") | 25 - 50


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FormatDateTitleAuthor
FormatDateTitleAuthor
out url icon Recercat Development, implementation and application of electronic structural descriptors to the analysis of the chemical bonding, aromaticity and chemical reactivity Matito i Gras, Eduard
out url icon Recercat 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 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
out url icon Recercat 2020 February 15 The electron-pair density distribution of the 1,3Πu excited states of H2 Mercero, J. M. ; Rodríguez-Mayorga, M. ; Rodríguez Mayorga, Mauricio ; Matito i Gras, Eduard ; Lopez, Xabier ; Ugalde, Jesus M.
doc icon DUGiDocs 2016 July 10 The electron-pair density distribution of the 1,3Πu excited states of H2 Mercero, Jose M. ; Rodríguez-Mayorga, M. ; Rodríguez Mayorga, Mauricio ; Matito i Gras, Eduard ; Lopez, Xabier ; Ugalde, Jesús M.
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
out url icon DUGiDocs 2024 May 14 Exploring the boundaries of aromaticity through computational analysis of excited states and complex molecular topologies Escayola Gordils, SĂ­lvia
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, JosĂŠ Luis ; Cerpa, Erick ; Matito i Gras, Eduard ; SolĂ  i Puig, Miquel ; Swart, Marcel ; Merino, Gabriel
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, JosĂŠ Luis ; Cerpa, Erick ; Matito i Gras, Eduard ; SolĂ  i Puig, Miquel ; Swart, Marcel ; Merino, Gabriel
out url icon Recercat Local spins: improved Hilbert-space analysis Ramos-Cordoba, Eloy ; Matito i Gras, Eduard ; Salvador Sedano, Pedro ; Mayer, IstvĂĄn
doc icon DUGiDocs 2012 Local spins: improved Hilbert-space analysis Ramos Cordoba, Eloy ; Matito i Gras, Eduard ; Salvador Sedano, Pedro ; Mayer, IstvĂĄn
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
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 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 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, Jesús 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
out url icon Recercat 2020 February 15 Nine Question on Energy Decomposition Analysis Andrés, Juan ; Ayers, Paul W. ; Boto, Roberto A. ; Carbó-Dorca, Ramon ; Chermette, Henry ; Cioslowski, Jerzy ; Contreras-García, Julia ; Cooper, David L. ; Frenking, Gernot ; Gatti, Carlo ; Heidar-Zadeh, Farnaz ; Joubert, Laurent ; Martin Pendas, Ángel ; Matito i Gras, Eduard ; Mayer, István ; Misquitta, Alston J. ; Mo, Yirong ; Pilmé, Julien ; Popelier, Paul L.A. ; Rahm, Martin ; Ramos Cordoba, Eloy. ; Salvador Sedano, Pedro ; Schwarz, W.H. Eugen ; Shahbazian, Shant ; Silvi, Bernard ; Solà i Puig, Miquel ; Szalewicz, Krzysztof ; Tognetti, Vincent ; Weinhold, Frank ; Zins, Émilie-Laure
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