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BIBTEX RIS

Um potencial de interação para o estudo de materiais e simulações por dinâmica molecular

2001; Brazilian Chemical Society; Volume: 24; Issue: 6 Linguagem: Inglês

10.1590/s0100-40422001000600022

ISSN

1678-7064

Autores

José Rino, Nélson Studart,

Tópico(s)

Porphyrin and Phthalocyanine Chemistry

Resumo

The Vashishta-Rahman effective interaction potential, based on the Pauling's concept of "ionic radii", has been successfully employed to investigate structural and dynamical properties of different classes of material.By celebrating Pauling's birth centenary, we review the building up of the Vashishta-Rahman potential and we present molecular-dynamics simulation results for structure and dynamics of superionic materials, chalcogenide glasses and metallic oxides.

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