Kimika Teorikoa: Conceptos y Simulaciones en (Foto)Quimica, (Bio)Polimeros y Materiales Avanzados
Dalhousie University
Halifax, CanadáPublicaciones en colaboración con investigadores/as de Dalhousie University (12)
2009
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Can correlation bring electrons closer together?
Molecular Physics, Vol. 107, Núm. 8-12, pp. 1089-1093
2004
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The spin dependence of the spatial size of Fe(II) and of the structure of Fe(II)-porphyrins
Journal of Physical Chemistry A, Vol. 108, Núm. 21, pp. 4653-4657
2000
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Cusp conditions for non-Coulombic interactions
Journal of Molecular Structure: THEOCHEM, Vol. 527, Núm. 1-3, pp. 27-33
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Radial moments of the electron density: Gas phase results and the effects of solvation
Journal of Chemical Physics, Vol. 112, Núm. 3, pp. 1113-1121
1999
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The topological features of the intracule density of the uniform electron gas
Chemical Physics Letters, Vol. 304, Núm. 5-6, pp. 393-398
1998
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A spin-density polarization index
Journal of Chemical Physics, Vol. 108, Núm. 7, pp. 2824-2830
1991
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The evaluation of electronic extracule and intracule densities and related probability functions in terms of Gaussian basis functions
Journal of Mathematical Chemistry, Vol. 6, Núm. 1, pp. 51-61
1990
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Topological evidence for an NN bond in cis‐1,2‐dinitrosoethene: The remarkable structure of the di‐N‐oxide of 1,2‐diazacyclobutadiene
Journal of Physical Organic Chemistry, Vol. 3, Núm. 3, pp. 143-146
1987
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Angular aspects of electron correlation and the Coulomb hole. II. The 2 1S and the 2 3S excited states of helium
The Journal of Chemical Physics, Vol. 87, Núm. 2, pp. 1216-1219
1986
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On the relationship between the electron‐pair distribution function and the correlation energy of an atom
International Journal of Quantum Chemistry, Vol. 29, Núm. 1, pp. 1-9
1985
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Angular aspects of exchange correlation and the fermi hole
International Journal of Quantum Chemistry, Vol. 27, Núm. 4, pp. 439-449
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The effect of electron correlation on one-electron properties in the 2 3S and 2 1S excited states of the helium atom
Chemical Physics Letters, Vol. 114, Núm. 2, pp. 197-200