MANY-BODY CONJUGATED-CIRCUIT COMPUTATIONS

被引：39

作者：

KLEIN, DJ

LIU, X

机构：

[1] Department of Marine Sciences, Texas A&M University at Galveston, Galveston, Texas

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1991年 / 12卷 / 10期

关键词：

D O I：

10.1002/jcc.540121014

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A powerful algorithm for calculating conjugated-circuit expectations for planar graphs is enunicated. The utility for systematizing quantitative resonance-theoretic computations on conjugated hydrocarbons, and related species, is emphasized.

引用

页码：1260 / 1264

页数：5

共 39 条

[1] [Anonymous], 1972, AROMATIC SEXTET
[2] [Anonymous], 1983, CHEM GRAPH THEORY
[3] [Anonymous], GRAPH THEORY AND THE
[4] GRAPH THEORY AND MOLECULAR-ORBITALS .7. ROLE OF RESONANCE STRUCTURES
CVETKOVIC, D
GUTMAN, I
TRINAJSTIC, N
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (07) : 2700 - 2706
[5] Kekule Structure Counts in Coronoid Hydrocarbons: A General Solution
Cyvin, S. J.
Brunvoll, J.
Cyvin, B. N.
[J]. STRUCTURAL CHEMISTRY, 1990, 1 (05) : 429 - 436
[6] CYVIN SJ, COMMUNICATION
[7] THE CORRESPONDENCE BETWEEN THE RESONANCE AND MOLECULAR ORBITAL THEORIES
DEWAR, MJS
LONGUETHIGGINS, HC
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1952, 214 (1119): : 482 - 493
[8] ELSER V, 1990, QUASICRYSTALS NETWOR, P265
[9] MOBILE BOND ORDERS IN THE RESONANCE AND MOLECULAR ORBITAL THEORIES
HAM, NS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1958, 29 (06) : 1229 - 1231
[10] Herndon W.C., 1974, THERMOCHIM ACTA, V8, P225, DOI [10.1016/0040-6031(74)87015-2, DOI 10.1016/0040-6031(74)87015-2]

← 1 2 3 4 →