FAST SEMI-EMPIRICAL CALCULATIONS

被引:76
作者
STEWART, JJP [1 ]
CSASZAR, P [1 ]
PULAY, P [1 ]
机构
[1] EOTVOS LORAND UNIV,DEPT GEN & INORGAN CHEM,H-1364 BUDAPEST 5,HUNGARY
关键词
D O I
10.1002/jcc.540030214
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:227 / 228
页数:2
相关论文
共 3 条
[1]   GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].
DEWAR, MJS ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907
[2]  
SMITH BT, 1976, LECTURE NOTES COMPUT, V6
[3]  
WILKINSON JH, 1971, HDB AUTOMATIC COMPUT, P207