CONTINUITY OF BOND ORDER

被引：28

作者：

JUG, K

机构：

[1] Theoretische Chemie, Universität Hannover, Hannover, D-3000

来源：

THEORETICA CHIMICA ACTA | 1979年 / 51卷 / 04期

关键词：

Bond order;

D O I：

10.1007/BF00548941

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：

To preserve the continuity of a recent bond order concept [1], the Mulliken overlap criterion for bonding and antibonding is replaced by a vector projection weighting procedure. The consequences of this change are discussed in applications to selected diatomics and polyatomics. © 1979 Springer-Verlag.

引用

页码：331 / 338

页数：8

共 4 条

[1] COFFEY P, 1973, J AM CHEM SOC, V97, P7575
[2] BOND ORDER ORBITALS AND EIGENVALUES
JUG, K
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (21) : 6581 - 6586
[3] MAXIMUM BOND ORDER PRINCIPLE
JUG, K
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (24) : 7800 - 7805
[4] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .3. EFFECTS OF HYBRIDIZATION ON OVERLAP AND GROSS AO POPULATIONS
MULLIKEN, RS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (12) : 2338 - 2342

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