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