ONE-ELECTRON PROPERTY FROM MCHF WAVE-FUNCTION - THE DIPOLE-MOMENT OF OZONE

被引:8
作者
DUPUIS, M
LESTER, WA
机构
[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
[2] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
来源
THEORETICA CHIMICA ACTA | 1987年 / 71卷 / 04期
关键词
D O I
10.1007/BF00529097
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:255 / 262
页数:8
相关论文
共 25 条
[1]  
Alder-Golden S. M., 1985, J CHEM PHYS, V83, P255
[2]  
BOBROWICZ FW, 1977, MODERN THEORETICAL C, V3, P79
[3]   STRENGTHS OF OZONE FUNDAMENTALS IN THE INFRARED - VARIATIONAL CALCULATIONS [J].
CARNEY, GD ;
GIORGIANNI, S ;
RAO, KN .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1980, 80 (01) :158-165
[4]   DIMERIZATION OF CARBENE TO ETHYLENE [J].
CHEUNG, LM ;
SUNDBERG, KR ;
RUEDENBERG, K .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (25) :8024-8025
[5]   ELECTRONIC REARRANGEMENTS DURING CHEMICAL-REACTIONS .2. PLANAR DISSOCIATION OF ETHYLENE [J].
CHEUNG, LM ;
SUNDBERG, KR ;
RUEDENBERG, K .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1979, 16 (05) :1103-1139
[6]   ABINITIO SCF AND CL CALCULATIONS OF THE DIPOLE-MOMENT FUNCTION OF OZONE [J].
CURTISS, LA ;
LANGHOFF, SR ;
CARNEY, GD .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (12) :5016-5021
[7]  
Dunning T.H., 1977, MODERN THEORETICAL C, V3, P1, DOI DOI 10.1007/978-1-4757-0887-5_1
[8]   GROUND ELECTRONIC STATE OF B2 [J].
DUPUIS, M ;
LIU, B .
JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (06) :2902-2910
[9]   FORMALDEHYDE - ABINITIO MCSCF+CL TRANSITION-STATE FOR H2CO-]CO+ H-2 ON THE S0 SURFACE [J].
DUPUIS, M ;
LESTER, WA ;
LENGSFIELD, BH ;
LIU, B .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (12) :6167-6173
[10]   SYSTEMATIC GVB STUDY OF HARMONIC VIBRATIONAL FREQUENCIES AND DIPOLE-MOMENT DERIVATIVES - THE VINYL RADICAL C2H3 AND OTHER SIMPLE MOLECULES [J].
DUPUIS, M ;
WENDOLOSKI, JJ .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (11) :5696-5702