LOCAL VERSUS GLOBAL (IE ATOMIC VERSUS MOLECULAR) NUMERICAL MODELING OF MOLECULAR GRAPHS

被引：67

作者：

BALABAN, AT ^{[1
]}

机构：

[1] TEXAS A&M UNIV,GALVESTON,TX 77553

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1994年 / 34卷 / 02期

关键词：

D O I：

10.1021/ci00018a028

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We developed new local vertex invariants (LOVIs) which are real (i.e. non-integer) numbers in order to reduce the intramolecular degeneracy of LOVIs and the intermolecular degeneracy of topological indices (TIs), which are created from these LOVIs and which are also real numbers.

引用

页码：398 / 402

页数：5

共 45 条

[1] [Anonymous], 1983, CHEM GRAPH THEORY
[2] [Anonymous], 1976, MOL CONNECTIVITY CHE
[3] Balaban A.T., 1986, MATH CHEM, V21, P115
[4] BALABAN AT, 1987, ACTA PHARM JUGOSL, V37, P7
[5] NEW VERTEX INVARIANTS AND TOPOLOGICAL INDEXES OF CHEMICAL GRAPHS BASED ON INFORMATION ON DISTANCES
BALABAN, AT
BALABAN, TS
[J]. JOURNAL OF MATHEMATICAL CHEMISTRY, 1991, 8 (04) : 383 - 397
[6] CORRELATIONS USING TOPOLOGICAL INDEXES BASED ON REAL GRAPH INVARIANTS
BALABAN, AT
BALABAN, TS
[J]. JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1992, 89 (7-8) : 1735 - 1745
[7] HIGHLY DISCRIMINATING DISTANCE-BASED TOPOLOGICAL INDEX
BALABAN, AT
[J]. CHEMICAL PHYSICS LETTERS, 1982, 89 (05) : 399 - 404
[8] TOPOLOGICAL INDEXES BASED ON TOPOLOGICAL DISTANCES IN MOLECULAR GRAPHS
BALABAN, AT
[J]. PURE AND APPLIED CHEMISTRY, 1983, 55 (02) : 199 - 206
[9] BALABAN AT, 1983, TOP CURR CHEM, V114, P21
[10] TOPOLOGICAL INDEXES AND REAL NUMBER VERTEX INVARIANTS BASED ON GRAPH EIGENVALUES OR EIGENVECTORS
BALABAN, AT
CIUBOTARIU, D
MEDELEANU, M
[J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1991, 31 (04): : 517 - 523

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