COMMENTS ON A COMPARISON OF AM1 WITH THE RECENTLY DEVELOPED PM3 METHOD - REPLY

被引：114

作者：

STEWART, JJP

机构：

来源：

JOURNAL OF COMPUTATIONAL CHEMISTRY | 1990年 / 11卷 / 04期

关键词：

D O I：

10.1002/jcc.540110414

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：543 / 544

页数：2

相关论文

共 7 条

[1] AM1 CALCULATIONS FOR COMPOUNDS CONTAINING SILICON
DEWAR, MJS
JIE, CX
[J]. ORGANOMETALLICS, 1987, 6 (07) : 1486 - 1490
[2] DEWAR MJS, 1988, J MOL STRUC-THEOCHEM, V180, P1
[3] A COMPARISON OF SEMI-EMPIRICAL SCF-MO AND ABINITIO ENERGY SURFACES FOR THE BECKMANN REARRANGEMENT
HUNT, PA
RZEPA, HS
[J]. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1989, (10) : 623 - 625
[4] PM3 POTENTIAL-ENERGY SURFACES FOR PHOSPHORYL TRANSFER-REACTIONS
RZEPA, HS
YI, MY
[J]. JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1989, (19) : 1502 - 1504
[5] OPTIMIZATION OF PARAMETERS FOR SEMIEMPIRICAL METHODS .2. APPLICATIONS
STEWART, JJP
[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1989, 10 (02) : 221 - 264
[6] OPTIMIZATION OF PARAMETERS FOR SEMIEMPIRICAL METHODS .1. METHOD
STEWART, JJP
[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1989, 10 (02) : 209 - 220
[7] 1985, 506 QUANT CHEM PROGR