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
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