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Monard MC, Bruno JA, Faour J, et al. Pressure dependence of ionic polarizabilities in crystals. Comput Chem. 2001;25(5):429-38doi: 10.1016/s0097-8485(00)00107-8.
Monard, M. C., Bruno, J. A., Faour, J., & Batana, A. (2001). Pressure dependence of ionic polarizabilities in crystals. Computers & chemistry, 25(5), 429-38. https://doi.org/10.1016/s0097-8485(00)00107-8
Monard, M C, et al. "Pressure dependence of ionic polarizabilities in crystals." Computers & chemistry vol. 25,5 (2001): 429-38. doi: https://doi.org/10.1016/s0097-8485(00)00107-8
Monard MC, Bruno JA, Faour J, Batana A. Pressure dependence of ionic polarizabilities in crystals. Comput Chem. 2001 Sep;25(5):429-38. doi: 10.1016/s0097-8485(00)00107-8. PMID: 11513233.
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Comput Chem. 2001 Sep;25(5):429-38. doi: 10.1016/s0097-8485(00)00107-8.

Pressure dependence of ionic polarizabilities in crystals.

Computers & chemistry

M C Monard, J A Bruno, J Faour, A Batana

Affiliations

  1. Departamento de Ciências de Computação e Estatística, Instituto de Ciências Matemáticas de São Carlos, Universidade de São Paulo/ILTC, Brazil.

PMID: 11513233 DOI: 10.1016/s0097-8485(00)00107-8

Abstract

A program in Maple V is developed that allows for the calculation of polarizabilities of both anions and cations on the basis of a new method and of the extension of the one developed previously. Furthermore, an alternative way of evaluation of delta r(i)/delta p is given. Values of delta alpha(total)/delta p can be evaluated for a given salt even when experimental data at high pressures are not available.

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