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
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
收藏
页码:732 / 739
页数:8
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共 27 条
[1]   INFRARED SPECTRUM OF HYDROGEN SULFIDE [J].
ALLEN, HC ;
PLYLER, EK .
JOURNAL OF CHEMICAL PHYSICS, 1956, 25 (06) :1132-1136
[2]   ABSORPTION SPECTRUM OF BH + BD IN VACUUM ULTRAVIOLET [J].
BAUER, SH ;
JOHNS, JWC ;
HERZBERG, G .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1964, 13 (02) :256-&
[3]   STUDIES IN CONFIGURATION INTERACTION - FIRST-ROW DIATOMIC HYDRIDES [J].
BENDER, CF ;
DAVIDSON, ER .
PHYSICAL REVIEW, 1969, 183 (01) :23-&
[4]  
CADE PE, 1967, J CHEM PHYS, V47, P649, DOI 10.1063/1.1711939
[5]  
Clementi E, 1974, AT DATA NUCL DATA TA, V14, P177
[6]   NEAR HARTREE-FOCK CALCULATIONS ON GROUND STATE OF WATER MOLECULE - ENERGIES, IONIZATION POTENTIALS, GEOMETRY, FORCE CONSTANTS, AND ONE-ELECTRON PROPERTIES [J].
DUNNING, TH ;
AUNG, S ;
PITZER, RM .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (12) :5044-+
[7]   ROTATION-VIBRATION SPECTRA OF DEUTERATED WATER VAPOR [J].
GAILAR, N ;
PLYLER, EK .
JOURNAL OF CHEMICAL PHYSICS, 1956, 24 (06) :1139-1165
[8]   ECONOMIC BASIS FOR ELECTRON DIFFERENCE DENSITY CALCULATIONS [J].
HASE, HL ;
SCHWEIG, A .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1977, 16 (04) :258-259
[9]   COMPARISON OF CALCULATED AND EXPERIMENTAL ELECTRON DIFFERENCE DENSITIES OF TETRACYANOETHYLENE [J].
HASE, HL ;
SCHULTE, KW ;
SCHWEIG, A .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1977, 16 (04) :257-258
[10]   OBSERVED AND CALCULATED ELECTRON-DENSITY DISTRIBUTION IN BONDS OF A RECTANGULAR CYCLOBUTADIENE [J].
IRNGARTINGER, H ;
HASE, HL ;
SCHULTE, KW ;
SCHWEIG, A .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1977, 16 (03) :187-188