Application of recurrent relationships in approximation of physico-chemical properties of any homologues of organic compounds

被引:0
作者
Zenkevich, I. G. [1 ]
机构
[1] St Petersburg State Univ, Chem Res Inst, St Petersburg 198504, Russia
来源
RECENT PROGRESS IN COMPUTATIONAL SCIENCES AND ENGINEERING, VOLS 7A AND 7B | 2006年 / 7A-B卷
关键词
organic compounds; physico-chemical constants; approximation; recurrent relationships; single-row; multi-row; inculcation; cyclic homologous series;
D O I
暂无
中图分类号
O29 [应用数学];
学科分类号
070104 ;
摘要
Simplest linear (first order) recurrent relationships A(n+1) = a A(n) + b have been proposed recently for approximation of any physicochemical constants (A) of organic compounds within different homologous series. Moreover, the same relationships provide the high precision of approximation not only within series of linear single-row homologues (RX), but for isomers with branched carbon skeletons within multi-row series (RnY n >= 2), as well as within so-called "inculcation" [X(CH2)(m)Y, m not equal const] and cyclic homologous series [cyclo-(CH2)(k)Z, k not equal const].
引用
收藏
页码:1382 / 1385
页数:4
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