JOSE MARIA
PEREZ JORDA
PROFESOR/A TITULAR UNIVERSIDAD
FEDERICO
MOSCARDO LLORENS
Investigador en el periodo 1969-2008
Publicaciones en las que colabora con FEDERICO MOSCARDO LLORENS (11)
2004
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Correlation factor approach to the correlation energy functional
Theoretical Chemistry Accounts, Vol. 111, Núm. 1, pp. 1-17
2001
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Characterizing conformers and torsional potentials of nitrosoformaldehyde and N-nitrosomethanimine
Journal of Chemical Physics, Vol. 115, Núm. 8, pp. 3698-3705
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High-level ab initio calculations of the torsional potential of glyoxal
Chemical Physics Letters, Vol. 342, Núm. 3-4, pp. 452-460
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New approach to the design of density functionals
Journal of Chemical Physics, Vol. 114, Núm. 5, pp. 2022-2026
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Torsional potential of 1,3-butadiene: Ab initio calculations
Molecular Physics, Vol. 99, Núm. 1, pp. 47-51
1998
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Improvement of multiconfigurational wave functions and energies by correlation energy functionals
Journal of Physical Chemistry A, Vol. 102, Núm. 52, pp. 10900-10902
1994
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Applicability to atoms of a large set of correlation energy functinals
International Journal of Quantum Chemistry, Vol. 52, Núm. 4, pp. 1027-1038
1992
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A simple, reliable and efficient scheme for automatic numerical integration
Computer Physics Communications, Vol. 70, Núm. 2, pp. 271-284
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Results of the correlation energy functionals versus the wavefunction type
Journal of Molecular Structure: THEOCHEM, Vol. 254, Núm. C, pp. 1-11
1990
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On the accuracy of correlation energy calculated by the correlation factor method: first- and second-row atoms
Theoretica Chimica Acta, Vol. 77, Núm. 3, pp. 207-212
1989
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DENSITY FUNCTIONALS AND CHEMICAL-BOND, DIATOMIC-MOLECULES
JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, Vol. 86, Núm. 4, pp. 853-859