GROUND-STATES OF MOLECULES .51. MNDO (MODIFIED NEGLECT OF DIATOMIC OVERLAP) CALCULATIONS OF KINETIC ISOTOPE EFFECTS

被引:56
作者
BROWN, SB [1 ]
DEWAR, MJS [1 ]
FORD, GP [1 ]
NELSON, DJ [1 ]
RZEPA, HS [1 ]
机构
[1] UNIV TEXAS, DEPT CHEM, AUSTIN, TX 78712 USA
关键词
D O I
10.1021/ja00493a008
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:7832 / 7836
页数:5
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