On the definition and calculation of the molecular descriptor R′/R

被引：3
|
作者：
Plavsic, D [1 ]
机构：
[1] Rudjer Boskovic Inst, HR-10001 Zagreb, Croatia
来源：
CHEMICAL PHYSICS LETTERS | 1999年 / 304卷 / 1-2期
关键词：
D O I：
10.1016/S0009-2614(99)00286-9
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The molecular descriptor R'/R was recently introduced by Randic in this journal [M. Randic, Chem. Phys. Lett. 211 (1993) 478]. The original definition of R'/R can be used for acyclic structures only. The definition is extended here in a way so as to be applicable to any connected structure. The explicit formula for calculation of the R'/R index is derived. The formula provides an easy method to calculate the R'/R index for any connected structure. The advantages of the formula over the algorithm proposed by Randic are pointed out. (C) 1999 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：111 / 116
页数：6
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