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Journal of Computational Chemistry
|
February 17, 2009
Iterative diagonalization for orbital optimization in natural orbital functional theory
M Piris, J M Ugalde
The Journal of Chemical Physics
|
June 15, 2007
Dispersion interactions within the Piris natural orbital functional theory: the helium dimer
M Piris, X Lopez, J M Ugalde
The Journal of Physical Chemistry. A
|
September 20, 2017
The trans Effect in Palladium Phosphine Sulfonate Complexes
E Rezabal, J M Ugalde, G Frenking
Physical Chemistry Chemical Physics : PCCP
|
December 11, 2012
Quantum chemical study of the catalytic activation of methane by copper oxide and copper hydroxide cations
E Rezabal, F Ruipérez, J M Ugalde
The Journal of Chemical Physics
|
April 10, 2008
Correlation holes for the helium dimer
M Piris, X Lopez, J M Ugalde
The Journal of Physical Chemistry. B
|
May 31, 2014
Aluminum interaction with glutamate and α-ketoglutarate: a computational study
J I Mujika, J M Ugalde, X Lopez
Physical Chemistry Chemical Physics : PCCP
|
May 11, 2012
Aluminum speciation in biological environments. The deprotonation of free and aluminum bound citrate in aqueous solution
J I Mujika, J M Ugalde, X Lopez
The Journal of Chemical Physics
|
July 16, 2008
Piris natural orbital functional study of the dissociation of the radical helium dimer
M Piris, J M Matxain, J M Ugalde
The Journal of Chemical Physics
|
March 3, 2012
Non-Born-Oppenheimer electronic and nuclear densities for a Hooke-Calogero three-particle model: non-uniqueness of density-derived molecular structure
E V Ludeña, L Echevarría, X Lopez, et al.
The Journal of Chemical Physics
|
January 26, 2010
Communications: Accurate description of atoms and molecules by natural orbital functional theory
M Piris, J M Matxain, X Lopez, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 26) with videos related to
Sort By:
Page
of 3
Journal of Computational Chemistry
|
February 17, 2009
Iterative diagonalization for orbital optimization in natural orbital functional theory
M Piris, J M Ugalde
The Journal of Chemical Physics
|
June 15, 2007
Dispersion interactions within the Piris natural orbital functional theory: the helium dimer
M Piris, X Lopez, J M Ugalde
The Journal of Physical Chemistry. A
|
September 20, 2017
The trans Effect in Palladium Phosphine Sulfonate Complexes
E Rezabal, J M Ugalde, G Frenking
Physical Chemistry Chemical Physics : PCCP
|
December 11, 2012
Quantum chemical study of the catalytic activation of methane by copper oxide and copper hydroxide cations
E Rezabal, F Ruipérez, J M Ugalde
The Journal of Chemical Physics
|
April 10, 2008
Correlation holes for the helium dimer
M Piris, X Lopez, J M Ugalde
The Journal of Physical Chemistry. B
|
May 31, 2014
Aluminum interaction with glutamate and α-ketoglutarate: a computational study
J I Mujika, J M Ugalde, X Lopez
Physical Chemistry Chemical Physics : PCCP
|
May 11, 2012
Aluminum speciation in biological environments. The deprotonation of free and aluminum bound citrate in aqueous solution
J I Mujika, J M Ugalde, X Lopez
The Journal of Chemical Physics
|
July 16, 2008
Piris natural orbital functional study of the dissociation of the radical helium dimer
M Piris, J M Matxain, J M Ugalde
The Journal of Chemical Physics
|
March 3, 2012
Non-Born-Oppenheimer electronic and nuclear densities for a Hooke-Calogero three-particle model: non-uniqueness of density-derived molecular structure
E V Ludeña, L Echevarría, X Lopez, et al.
The Journal of Chemical Physics
|
January 26, 2010
Communications: Accurate description of atoms and molecules by natural orbital functional theory
M Piris, J M Matxain, X Lopez, et al.
Page
of 3