SPIN-DIPOLAR INTERACTIONS IN POLYATOMIC-MOLECULES - AB-INITIO COMPUTATIONS WITH GAUSSIAN ORBITALS

被引:5
作者
BENDAZZOLI, GL
PALMIERI, P
SINK, ML
机构
[1] IST CHIM FISICA & SPETT,40136 BOLOGNA,ITALY
[2] CECAM,F-91 ORSAY,FRANCE
关键词
D O I
10.1016/0009-2614(76)85151-2
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:266 / 270
页数:5
相关论文
共 29 条
[12]   STUDIES OF ZERO-FIELD SPLITTINGS IN AROMATIC MOLECULES [J].
GODFREY, M ;
KERN, CW ;
KARPLUS, M .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (12) :4459-&
[13]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS [J].
HEHRE, WJ ;
STEWART, RF ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) :2657-+
[14]   FINE STRUCTURE OF 3SIGMA- AND 3PI STATES OF NHOH+ PH AND SH+ [J].
HORANI, M ;
ROSTAS, J ;
LEFEBVRE.H .
CANADIAN JOURNAL OF PHYSICS, 1967, 45 (10) :3319-&
[15]   EVALUATION OF MOLECULAR INTEGRALS BY GAUSSIAN EXPANSION METHOD WITH PARTICULAR REFERENCE TO ZERO-FIELD SPLITTING INTEGRALS [J].
ITO, H ;
IHAYA, YJ .
CHEMICAL PHYSICS LETTERS, 1972, 17 (04) :516-521
[16]   SPIN-ORBIT EFFECTS AND FINE STRUCTURE IN 3SIGMAG-GROUND STATE OF O2 [J].
KAYAMA, K ;
BAIRD, JC .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (07) :2604-&
[17]   AB-INITIO EVALUATION OF FINE-STRUCTURE OF OXYGEN MOLECULE [J].
LANGHOFF, SR .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (05) :1708-1716
[18]   AB-INITIO CALCULATION OF SPIN DIPOLE-DIPOLE PARAMETERS FOR METHYLENE [J].
LANGHOFF, SR ;
DAVIDSON, ER .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (04) :759-777
[19]   MOLECULAR INTEGRALS OF RELATIVISTIC EFFECTS WITH GAUSSIAN-TYPE ORBITALS [J].
MATSUOKA, O .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (02) :365-381