BASIS SET AND ELECTRON CORRELATION EFFECTS ON TOTAL ELECTRON-DENSITY IN H2O, H2S, AND BH

被引：45

作者：

BICERANO, J ^{[1
]}

MARYNICK, DS ^{[1
]}

LIPSCOMB, WN ^{[1
]}

机构：

[1] HARVARD UNIV, DEPT CHEM, CAMBRIDGE, MA 02138 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1978年 / 100卷 / 03期

关键词：

D O I：

10.1021/ja00471a011

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：732 / 739

页数：8

共 27 条

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[3] STUDIES IN CONFIGURATION INTERACTION - FIRST-ROW DIATOMIC HYDRIDES
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[6] NEAR HARTREE-FOCK CALCULATIONS ON GROUND STATE OF WATER MOLECULE - ENERGIES, IONIZATION POTENTIALS, GEOMETRY, FORCE CONSTANTS, AND ONE-ELECTRON PROPERTIES
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (12) : 5044 - +
[7] ROTATION-VIBRATION SPECTRA OF DEUTERATED WATER VAPOR
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1956, 24 (06) : 1139 - 1165
[8] ECONOMIC BASIS FOR ELECTRON DIFFERENCE DENSITY CALCULATIONS
HASE, HL
SCHWEIG, A
[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1977, 16 (04): : 258 - 259
[9] COMPARISON OF CALCULATED AND EXPERIMENTAL ELECTRON DIFFERENCE DENSITIES OF TETRACYANOETHYLENE
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[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1977, 16 (04): : 257 - 258
[10] OBSERVED AND CALCULATED ELECTRON-DENSITY DISTRIBUTION IN BONDS OF A RECTANGULAR CYCLOBUTADIENE
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[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1977, 16 (03): : 187 - 188

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