Molecular orbital study of the hydrogen bond in ice

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An SCF-MO-LCAO calculation for the four electrons involved in the straight hydrogen bond in ice is performed using a limited set of Slater-type orbitals. The energy of the four electrons plus the interaction between the "core potentials" is calculated as a function of the position of the p...

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Detalles Bibliográficos
Autores principales: Weissmann, M., Cohan, N.V.
Formato: JOUR
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00219606_v43_n1_p119_Weissmann
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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