FACTORS DETERMINING BOND ANGLES FROM A CLASSICAL VALENCE BOND PERSPECTIVE - COVALENT STRUCTURE OF H2O

被引:1
作者
MACLAGAN, RGAR [1 ]
KIRTMAN, B [1 ]
机构
[1] UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106
来源
THEORETICA CHIMICA ACTA | 1985年 / 68卷 / 05期
关键词
D O I
10.1007/BF00529060
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
收藏
页码:407 / 417
页数:11
相关论文
共 24 条
[1]   A CRITIQUE OF PAULI REPULSIONS AND MOLECULAR GEOMETRY [J].
BADER, RFW ;
PRESTON, HJT .
CANADIAN JOURNAL OF CHEMISTRY, 1966, 44 (10) :1131-&
[2]   SUBSPACE QUANTUM DYNAMICS AND QUANTUM ACTION PRINCIPLE [J].
BADER, RFW ;
SREBRENIK, S ;
NGUYENDANG, TT .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (08) :3680-3691
[3]  
BENEDICT WS, 1956, J CHEM PHYS, V24, P1139, DOI DOI 10.1063/1.1742731
[4]   ARE BONDS BENT - TO WHAT EXTENT DO BOND ORBITALS FOLLOW NUCLEAR MOTIONS [J].
CHIPMAN, DM ;
PALKE, WE ;
KIRTMAN, B .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (10) :3377-3383
[5]   VALENCE-BOND STUDIES OF AH2 MOLECULES .4. COMPARISON OF MINIMAL BASIS SET CALCULATIONS ON H2O AND H2S [J].
DOONAN, IJ ;
MACLAGAN, RGAR .
THEORETICA CHIMICA ACTA, 1978, 50 (01) :87-91
[6]   ZERO-POINT VIBRATIONAL CORRECTIONS TO ONE-ELECTRON PROPERTIES OF WATER MOLECULE IN NEAR-HARTREE-FOCK LIMIT [J].
ERMLER, WC ;
KERN, CW .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (10) :4851-&
[7]   ELECTRON-PAIR REPULSIONS AND MOLECULAR SHAPE [J].
GILLESPI.RJ .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1967, 6 (10) :819-&
[8]  
Gillespie R.J., 1963, J CHEM EDUC, V40, P295, DOI DOI 10.1021/ED040P295
[9]   INORGANIC STEREOCHEMISTRY [J].
GILLESPIE, RJ ;
NYHOLM, RS .
QUARTERLY REVIEWS, 1957, 11 (04) :339-380
[10]   SELF-CONSISTENT PROCEDURES FOR GENERALIZED VALENCE BOND WAVEFUNCTIONS - APPLICATIONS H-3, BH, H2O, C2H6, AND O2 [J].
HUNT, WJ ;
HAY, PJ ;
GODDARD, WA III .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (02) :738-+