NUMERICAL SENSITIVITY OF TRAJECTORIES ACROSS CONFORMATIONAL ENERGY HYPERSURFACES FROM GEOMETRY OPTIMIZED MOLECULAR-ORBITAL CALCULATIONS - AM1, MNDO, AND MINDO/3

被引：87

作者：

BOYD, DB

SMITH, DW

STEWART, JJP

WIMMER, E

机构：

[1] USAF ACAD,FRANK J SEILER RES LAB,COLORADO SPRINGS,CO 80840

[2] CRAY RES INC,MENDOTA HTS,MN 55120

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1988年 / 9卷 / 04期

关键词：

D O I：

10.1002/jcc.540090414

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：387 / 398

页数：12

相关论文

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