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The Journal of Chemical Physics|May 3, 2011
A natural orbital functional for multiconfigurational statesM Piris, X Lopez, F Ruipérez, et al.
Physical Chemistry Chemical Physics : PCCP|September 10, 2011
Homolytic molecular dissociation in natural orbital functional theoryJ M Matxain, M Piris, F Ruipérez, et al.
Physical Chemistry Chemical Physics : PCCP|December 25, 2012
The natural orbital functional theory of the bonding in Cr2, Mo2 and W2F Ruipérez, M Piris, J M Ugalde, et al.
The Journal of Chemical Physics|January 26, 2010
Communications: Accurate description of atoms and molecules by natural orbital functional theoryM Piris, J M Matxain, X Lopez, et al.
The Journal of Chemical Physics|September 28, 2010
Communication: The role of the positivity N-representability conditions in natural orbital functional theoryM Piris, J M Matxain, X Lopez, et al.
The Journal of Chemical Physics|July 17, 2009
Spin conserving natural orbital functional theoryM Piris, J M Matxain, X Lopez, et al.
Physical Chemistry Chemical Physics : PCCP|May 22, 2010
Performance of PNOF3 for reactivity studies: X[BO] and X[CN] isomerization reactions (X = H, Li) as a case studyX Lopez, M Piris, J M Matxain, et al.
The Journal of Chemical Physics|July 16, 2008
Piris natural orbital functional study of the dissociation of the radical helium dimerM Piris, J M Matxain, J M Ugalde
The Journal of Chemical Physics|December 24, 2013
The intrapair electron correlation in natural orbital functional theoryM Piris, J M Matxain, X Lopez
The Journal of Chemical Physics|June 15, 2007
Dispersion interactions within the Piris natural orbital functional theory: the helium dimerM Piris, X Lopez, J M Ugalde
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