Correlations: Alkylsilane property — polynomial coefficients of the adjacency matrix of the molecular graph

被引：0
|
作者：
D. Yu. Nilov
V. M. Smolyakov
机构：
[1] Tver State University,
来源：
Journal of Structural Chemistry | 2014年 / 55卷
关键词：
molecular graph; adjacency matrix ; ′ of a heterogeneous molecular graph; eigenvalues; characteristic polynomial coefficients; additive scheme; alkylsilanes; enthalpy of formation;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Based on the characteristic polynomial coefficients (CPCs) of the adjacency matrix A′ of heterogeneous molecular graphs of the molecules containing a tetravalent heteroatom >Si< (>Ge<, >Sn<), etc. in the chain, a 13-constant additive scheme for the calculation of their physicochemical properties is obtained. The structural meaning of CPCs of the adjacency matrix A′ is established. By the formula obtained the formation enthalpies ΔfHgas, 298K0 of SiCnH2n+2 alkylsilanes not studied experimentally are calculated.
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页码：424 / 430
页数：6
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