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How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers? |
Simon i Rabasseda, SÃlvia
; Duran i Portas, Miquel
; Dannenberg, J. J.
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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
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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
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2005 |
The minimum tree for a given zero-entropy period |
Barrabés Vera, Esther
; Juher, David
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The minimum tree for a given zero-entropy period |
Barrabés Vera, Esther
; Juher, David
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2003 |
Negative Fukui functions: new insights based on electronegativity equalization |
Bultinck, Patrick
; Carbó-Dorca, Ramon
; Langenaeker, Wilfried
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Negative Fukui functions: new insights based on electronegativity equalization |
Bultinck, Patrick
; Carbó-Dorca, Ramon
; Langenaeker, Wilfried
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2013 October 1 |
Numerical continuation of families of heteroclinic connections between periodic orbits in a Hamiltonian system |
Barrabés Vera, Esther
; Mondelo, Josep M.
; Ollé Torner, Mercè
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Numerical continuation of families of heteroclinic connections between periodic orbits in a Hamiltonian system |
Barrabés Vera, Esther
; Mondelo, Josep M.
; Ollé Torner, Mercè
|
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2018 June 1 |
Numerical continuation of families of heteroclinic connections between periodic orbits in a Hamiltonian system |
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2018 June 5 |
Numerical continuation of families of heteroclinic connections between periodic orbits in a Hamiltonian system |
Barrabés Vera, Esther
; Mondelo, Josep M.
; Ollé Torner, Mercè
|
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2001 |
One- and two-center energy components in the atoms in molecules theory |
Salvador Sedano, Pedro
; Duran i Portas, Miquel
; Mayer, István
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One- and two-center energy components in the atoms in molecules theory |
Salvador Sedano, Pedro
; Duran i Portas, Miquel
; Mayer, István
|
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One- and two-center energy components in the atoms in molecules theory |
Salvador Sedano, Pedro
; Duran i Portas, Miquel
; Mayer, István
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2018 June 1 |
One- and two-center energy components in the atoms in molecules theory |
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2018 June 5 |
One- and two-center energy components in the atoms in molecules theory |
Salvador Sedano, Pedro
; Duran i Portas, Miquel
; Mayer, István
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2007 |
One- and two-center physical space partitioning of the energy in the density functional theory |
Salvador Sedano, Pedro
; Mayer, István
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One- and two-center physical space partitioning of the energy in the density functional theory |
Salvador Sedano, Pedro
; Mayer, István
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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, SÃlvia
; Blancafort San José, LluÃs
; Voityuk, Alexander A.
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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, SÃlvia
; Blancafort San José, LluÃs
; Voityuk, Alexander A.
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2005 |
On the preservation of combinatorial types for maps on trees |
Alsedà , LluÃs
; Juher, David
; Mumbrú i RodrÃguez, Pere
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On the preservation of combinatorial types for maps on trees |
Alsedà , LluÃs
; Juher, David
; Mumbrú i RodrÃguez, Pere
|
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Oxidation states from wave function analysis |
Ramos-Cordoba, Eloy
; Postils, Verònica
; Salvador Sedano, Pedro
|
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Oxidation states from wave function analysis |
Ramos Cordoba, Eloy
; Postils Ribó, Verònica
; Salvador Sedano, Pedro
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2016 March 11 |
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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