BASIS SET DEPENDENCE, PRECISION, AND ACCURACY OF FULL ABINITIO GRADIENT OPTIMIZATIONS OF MOLECULAR-STRUCTURES OF NONSTRAINED HYDROCARBONS .1. CC BOND LENGTHS

被引：29

作者：

HAFELINGER, G ^{[1
]}

REGELMANN, CU ^{[1
]}

KRYGOWSKI, TM ^{[1
]}

WOZNIAK, K ^{[1
]}

机构：

[1] UNIV WARSAW,DEPT CHEM,PL-02093 WARSAW,POLAND

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1989年 / 10卷 / 03期

关键词：

D O I：

10.1002/jcc.540100306

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：329 / 343

页数：15

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