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out url icon Recercat How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers? Simon i Rabasseda, Sílvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
doc icon DUGiDocs 2008 J2 effect and elliptic inclined periodic orbits in the collision three-body problem Barrabés Vera, Esther ; Cors i Iglesias, Josep M. ; Pinyol i Pérez, Concepció ; Soler Villanueva, Jaume
out url icon Recercat J2 effect and elliptic inclined periodic orbits in the collision three-body problem Barrabés Vera, Esther ; Cors i Iglesias, Josep M. ; Pinyol i Pérez, Concepció ; Soler Villanueva, Jaume
doc icon DUGiDocs 2005 The minimum tree for a given zero-entropy period Barrabés Vera, Esther ; Juher, David
out url icon Recercat The minimum tree for a given zero-entropy period Barrabés Vera, Esther ; Juher, David
doc icon DUGiDocs 2003 Negative Fukui functions: new insights based on electronegativity equalization Bultinck, Patrick ; Carbó-Dorca, Ramon ; Langenaeker, Wilfried
out url icon Recercat Negative Fukui functions: new insights based on electronegativity equalization Bultinck, Patrick ; Carbó-Dorca, Ramon ; Langenaeker, Wilfried
doc icon DUGiDocs 1 octubre 2013 Numerical continuation of families of heteroclinic connections between periodic orbits in a Hamiltonian system Barrabés Vera, Esther ; Mondelo, Josep M. ; Ollé Torner, Mercè
out url icon Recercat Numerical continuation of families of heteroclinic connections between periodic orbits in a Hamiltonian system Barrabés Vera, Esther ; Mondelo, Josep M. ; Ollé Torner, Mercè
out url icon Recercat 1 juny 2018 Numerical continuation of families of heteroclinic connections between periodic orbits in a Hamiltonian system
out url icon Recercat 5 juny 2018 Numerical continuation of families of heteroclinic connections between periodic orbits in a Hamiltonian system Barrabés Vera, Esther ; Mondelo, Josep M. ; Ollé Torner, Mercè
out url icon Recercat One- and two-center energy components in the atoms in molecules theory Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Mayer, István
out url icon Recercat One- and two-center energy components in the atoms in molecules theory Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Mayer, István
out url icon Recercat 1 juny 2018 One- and two-center energy components in the atoms in molecules theory
out url icon Recercat 5 juny 2018 One- and two-center energy components in the atoms in molecules theory Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Mayer, István
doc icon DUGiDocs 2001 One- and two-center energy components in the atoms in molecules theory Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Mayer, István
doc icon DUGiDocs 2007 One- and two-center physical space partitioning of the energy in the density functional theory Salvador Sedano, Pedro ; Mayer, István
out url icon Recercat One- and two-center physical space partitioning of the energy in the density functional theory Salvador Sedano, Pedro ; Mayer, István
out url icon Recercat On the performance of the Kohn-Sham orbital approach in the calculation of electron transfer parameters. the three state model Butchosa Robles, Cristina ; Simon i Rabasseda, Sílvia ; Blancafort San José, Lluís ; Voityuk, Alexander A.
doc icon DUGiDocs 2014 On the performance of the Kohn-Sham orbital approach in the calculation of electron transfer parameters. the three state model Butchosa Robles, Cristina ; Simon i Rabasseda, Sílvia ; Blancafort San José, Lluís ; Voityuk, Alexander A.
out url icon Recercat On the preservation of combinatorial types for maps on trees Alsedà, Lluís ; Juher, David ; Mumbrú i Rodríguez, Pere
doc icon DUGiDocs 2005 On the preservation of combinatorial types for maps on trees Alsedà i Soler, Lluís ; Juher, David ; Mumbrú i Rodríguez, Pere
out url icon Recercat Oxidation states from wave function analysis Ramos-Cordoba, Eloy ; Postils, Verònica ; Salvador Sedano, Pedro
doc icon DUGiDocs 14 abril 2015 Oxidation states from wave function analysis Ramos Cordoba, Eloy ; Postils Ribó, Verònica ; Salvador Sedano, Pedro
out url icon Recercat Planar vs. three-dimensional X62-, X2Y42-, and X3Y32- (X, Y = B, Al, Ga) metal clusters. An analysis of their relative energies through the turn-upside-down approach Poater i Teixidor, Jordi ; Solà i Puig, Miquel ; El Bakouri, Ouissam
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