Orbital energies and charge densities in borazine

被引：17

作者：

Boyd, R. J. ^{[1
]}

Lo, D. H. ^{[1
]}

Whitehead, M. A. ^{[1
]}

机构：

[1] McGill Univ, Quantum Chem Lab, Montreal, PQ 2, Canada

来源：

CHEMICAL PHYSICS LETTERS | 1968年 / 2卷 / 04期

关键词：

D O I：

10.1016/0009-2614(68)85007-9

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The orbital energies and charge densities in borazine were calculated by the Huckel M. O. method. the Bond Electronegativity Equalization Method for sigma and pi electrons (BEEM-pi) and by the Semi-Empirical All Valence electron theory with complete neglect of differential overlap (SAVE-CNDO).

引用

页码：227 / 229

页数：3

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