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

Research output: Contribution to journal › Article › peer-review

10 Scopus citations

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.

Original language	English
Pages (from-to)	39-46
Number of pages	8
Journal	Journal of Molecular Structure: THEOCHEM
Volume	231
Issue number	C
DOIs	https://doi.org/10.1016/0166-1280(91)85201-H
State	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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Construction of the symmetry orbitals in large molecular systems

Abstract

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