ANALYTICAL 1ST DERIVATIVES OF ENERGY IN MNDO

被引：23

作者：

DEWAR, MJS

YAMAGUCHI, Y

机构：

来源：

COMPUTERS & CHEMISTRY | 1978年 / 2卷 / 01期

关键词：

D O I：

10.1016/0097-8485(78)80005-9

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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页码：25 / 29

页数：5

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[1] GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
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[7] GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS
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[8] SPLIT P-ORBITAL (SPO) METHOD .3. RELATIONSHIP TO OTHER MO TREATMENTS AND APPLICATION TO BENZENE, BUTADIENE, AND NAPHTHALENE
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[9] GROUND STATES OF SIGMA-BONDED MOLECULES .9. MINDO-2 METHOD
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