APPLICATIONS OF DEGREE DISTRIBUTION .1.A. GENERAL DISCUSSION AND COMPUTER-GENERATION OF DEGREE DISTRIBUTIONS .B. MAXIMAL DEGREE DISTRIBUTIONS

被引:3
作者
BIEBER, TI
JACKSON, MD
机构
[1] Department of Chemistry, Florida Atlantic University, Boca Raton
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1993年 / 33卷 / 05期
关键词
Carbon atoms - Degree distribution - Isomers - Maximal degree distribution - Rings - Skeletal atoms;
D O I
10.1021/ci00015a006
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The degree distribution equation has the general form a + 2b + 3c + 4d = 2(n - 1 + r), where n is the number of skeletal atoms (usually carbon atoms), r is the number of rings (very liberally defined), and a, b, c, and d denote the numbers of skeletal atoms of degrees 1, 2, 3, and 4, respectively. For a given n and r there are normally numerous [a,b,c,d] solutions, all readily obtainable by a computer program. Each solution represents a valid degree distribution. All isomers that conform to a certain degree distribution can be considered to belong to the same domain. A maximal degree distribution is defined as a degree distribution [a,b,c,d] in which at least one term is maximal for the given n and r. Maximal values follow a predictable pattern for an infinite range of n for the chosen r and are easily calculated for any desired case.
引用
收藏
页码:696 / 700
页数:5
相关论文
共 3 条
[1]  
BALABAN AT, 1991, CHEM GRAPH THEORY, P203
[2]  
BALABAN AT, 1976, CHEM APPLICATIONS GR, P82
[3]  
BONDY JA, 1976, GRAPH THEORY APPLICA, P25