Construction of the symmetry orbitals in large molecular systems

Chang Guo Zhan

doi:10.1016/0166-1280(91)85201-H

Construction of the symmetry orbitals in large molecular systems

Chang Guo Zhan

Pharmaceutical Sciences

Producción científica: Article › revisión exhaustiva

10 Citas (Scopus)

Resumen

It is shown that the procedures for constructing the symmetry orbitals proposed in preceding papers can be extended and simplified, and may be employed to construct the symmetry orbitals in very large molecular systems by partitioning the atomic orbitals into many sets.

Idioma original	English
Páginas (desde-hasta)	39-46
Número de páginas	8
Publicación	Journal of Molecular Structure: THEOCHEM
Volumen	231
N.º	C
DOI	https://doi.org/10.1016/0166-1280(91)85201-H
Estado	Published - jun 20 1991

ASJC Scopus subject areas

Biochemistry
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1016/0166-1280(91)85201-H

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abstract = "It is shown that the procedures for constructing the symmetry orbitals proposed in preceding papers can be extended and simplified, and may be employed to construct the symmetry orbitals in very large molecular systems by partitioning the atomic orbitals into many sets.",

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Construction of the symmetry orbitals in large molecular systems

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