Simulación, Caracterización y Evolución de Materiales
FQM166
Universidad Complutense de Madrid
Madrid, EspañaPublicaciones en colaboración con investigadores/as de Universidad Complutense de Madrid (5)
1992
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A theoretical study of the spectrum of 3dn ions adsorbed on ionic crystals. II. Co2+ on calcite and aragonite
Journal of Molecular Structure: THEOCHEM, Vol. 254, Núm. C, pp. 301-306
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An algorithm based in Ewald's method to calculate lattice sums in the framework of crystal field theory. I. Application to the calculation of electrostatic potential inside MX ionic crystals
Journal of Molecular Structure: THEOCHEM, Vol. 254, Núm. C, pp. 329-334
1991
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Structural and vibrational study of the 3,7-dimethyl-3,7- diazabicyclo [3.3.1] nonan-9-ol molecule by the AM1 method
Journal of Molecular Structure, Vol. 249, Núm. 2-4, pp. 313-325
1988
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Uncertainty in the intramolecular vibrational energy distribution
Journal of Molecular Structure: THEOCHEM, Vol. 166, Núm. C, pp. 253-256
1986
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Point-core approximation effects on quantum chemical calculations of vibrational force constants
Journal of Molecular Structure, Vol. 142, Núm. C, pp. 291-294