CANONICAL TRANSFORMATIONS AND MOLECULAR-STRUCTURE CALCULATIONS

被引：0

作者：

WITRIOL, NM ^{[1
]}

机构：

[1] PHYS SCI DIRECTORATE,REDSTONE ARSENAL,AL 35809

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1972年 / 06期

关键词：

D O I：

暂无

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：145 / 152

页数：8

共 50 条

[1] CANONICAL CONNECTION TABLE REPRESENTATION OF MOLECULAR-STRUCTURE
BERSOHN, M
ESACK, A
CHEMICA SCRIPTA, 1974, 6 (03): : 122 - 128
[2] FURTHER ABINITIO CALCULATIONS ON THE MOLECULAR-STRUCTURE OF METHYLCYCLOPROPANE
SKANCKE, A
ACTA CHEMICA SCANDINAVICA SERIES A-PHYSICAL AND INORGANIC CHEMISTRY, 1983, 37 (04): : 337 - 339
[3] PSEUDOPOTENTIAL MOLECULAR-STRUCTURE CALCULATIONS FOR NAHE AND CSHE
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PHYSICAL REVIEW A, 1982, 26 (06): : 3709 - 3712
[4] MO-CALCULATIONS OF MOLECULAR-STRUCTURE AND THEIR DYNAMICS
BOGEL, H
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[5] NDDO CALCULATIONS FOR DETERMINATION OF MOLECULAR-STRUCTURE OF CONJUGATED COMPOUNDS
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[6] GEOMETRY OPTIMIZATION IN MOLECULAR-STRUCTURE CALCULATIONS - VINYLCYLOPROPANE AND VINYLOXIRANE
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LOTT, J
SPECTROSCOPY LETTERS, 1990, 23 (03) : 369 - 377
[7] CALCULATIONS ON MOLECULAR-STRUCTURE AND ELECTROSTATIC POTENTIALS OF CARDIOTONIC STEROIDS
BOHL, M
SUSSMILCH, R
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 1986, 21 (03) : 193 - 198
[8] MOLECULAR-STRUCTURE CALCULATIONS IN 2 CLASSES OF CONDUCTING POLYMERS
TRIPATHY, SK
KITCHEN, D
DRUY, MA
MACROMOLECULES, 1983, 16 (02) : 190 - 192
[9] MOLECULAR-STRUCTURE OF LITHIUM-NITRATE AS DETERMINED BY ABINITIO CALCULATIONS
ALMLOF, J
ISCHENKO, AA
CHEMICAL PHYSICS LETTERS, 1979, 61 (01) : 79 - 82
[10] THEORETICAL ERROR-ESTIMATES IN ATOMIC AND MOLECULAR-STRUCTURE CALCULATIONS
COHEN, M
FELDMANN, T
ISRAEL JOURNAL OF CHEMISTRY, 1980, 19 (1-4) : 159 - 164

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