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
收藏
页码：398 / 402
页数：5
相关论文
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 [J].
BALABAN, AT ;
BALABAN, TS .
JOURNAL OF MATHEMATICAL CHEMISTRY, 1991, 8 (04) :383-397
[6]   CORRELATIONS USING TOPOLOGICAL INDEXES BASED ON REAL GRAPH INVARIANTS [J].
BALABAN, AT ;
BALABAN, TS .
JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1992, 89 (7-8) :1735-1745
[7]   HIGHLY DISCRIMINATING DISTANCE-BASED TOPOLOGICAL INDEX [J].
BALABAN, AT .
CHEMICAL PHYSICS LETTERS, 1982, 89 (05) :399-404
[8]   TOPOLOGICAL INDEXES BASED ON TOPOLOGICAL DISTANCES IN MOLECULAR GRAPHS [J].
BALABAN, AT .
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 [J].
BALABAN, AT ;
CIUBOTARIU, D ;
MEDELEANU, M .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1991, 31 (04) :517-523
12345