Force constant transportability problem

被引：0

作者：

Morozov, VP ^{[1
]}

Dergachev, MP ^{[1
]}

Lasunin, MV ^{[1
]}

机构：

[1] Dnepropetrovsk Natl Univ, Dnepropetrovsk, Ukraine

来源：

JOURNAL OF STRUCTURAL CHEMISTRY | 2003年 / 44卷 / 06期

关键词：

semiempirical relations; force constants; hydroxonium ion; transport equations;

D O I：

10.1023/B:JORY.0000034802.51499.ff

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

For XY3 complexes with light and heavy terminal atoms, the force constant transportability problem is solved by the extrapolation method using semiempirical relations. A potential function is constructed using the transport relations, and the fundamental frequencies are calculated for the hydroxonium ion, transport equations.

引用

页码：970 / 974

页数：5

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