Mean Wiener numbers and other mean extensions for alkane trees

被引:21
作者
Bytautas, L [1 ]
Klein, DJ [1 ]
机构
[1] Texas A&M Univ, Galveston, TX 77551 USA
来源
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 2000年 / 40卷 / 02期
关键词
D O I
10.1021/ci990127b
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The "Wiener number" (the sum over intersite graph distances of a structure) as averaged over all alkane structural isomers of a fixed number N of carbon atoms is considered. This and several other measures of average graphical "extension" of N-site alkanes are computed for N up to 90 (where there are over 10(35) such isomers). Fits are then made for several surmised or derived asymptotic forms, and a heuristic argument is made relating these results to geometric extensions of a random mix of (N-site) alkanes.
引用
收藏
页码:471 / 481
页数:11
相关论文
共 41 条
[1]  
[Anonymous], MATH COMPUTATIONAL C
[2]  
Barber M., 1970, RANDOM RESTRICTED WA
[3]   Formula periodic table for acyclic hydrocarbon isomer classes: combinatorially averaged graph invariants [J].
Bytautas, L ;
Klein, DJ .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1999, 1 (24) :5565-5572
[4]   Isomer combinatorics for acyclic conjugated polyenes: enumeration and beyond [J].
Bytautas, L ;
Klein, DJ .
THEORETICAL CHEMISTRY ACCOUNTS, 1999, 101 (06) :371-387
[5]   Alkane isomer combinatorics: Stereostructure enumeration and graph-invariant and molecular-property distributions [J].
Bytautas, L ;
Klein, DJ .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1999, 39 (05) :803-818
[6]   Chemical combinatorics for alkane-isomer enumeration and more [J].
Bytautas, L ;
Klein, DJ .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1998, 38 (06) :1063-1078
[7]  
BYTAUTAS L, 2000, IN PRESS CROAT CHEM
[8]  
BYTAUTAS L, 2000, IN PRESS NEW J CHEM
[9]  
CHANDRASEKHAR S, 1942, REV MOD PHYS, V15, P1
[10]   Square lattice self-avoiding walks and corrections to scaling [J].
Conway, AR ;
Guttmann, AJ .
PHYSICAL REVIEW LETTERS, 1996, 77 (26) :5284-5287