SIGMA AND PI CHANGES IN VALENCE STATES OF PI-EECTRON THEORY AND 1-CENTER COULOMB REPULSION PARAMETERS

被引:55
作者
ORLOFF, MK
SINANOGL.O
机构
关键词
D O I
10.1063/1.1696485
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:49 / &
相关论文
共 31 条
[1]   VALENCE-STATE DATA IN MOLECULAR SCMO CALCULATIONS [J].
ADAMS, OW ;
MILLER, RL .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (09) :2948-&
[2]   CORRELATION ENERGY AND 1-CENTER COULOMB REPULSION INTEGRAL [J].
ARAI, T ;
LYKOS, P .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (06) :1447-&
[3]   ATOMIC NEGATIVE IONS [J].
CLEMENTI, E ;
MCLEAN, AD .
PHYSICAL REVIEW A-GENERAL PHYSICS, 1964, 133 (2A) :A419-&
[4]   SPO (SPLIT P-ORBITAL) METHOD AND ITS APPLICATION TO ETHYLENE [J].
DEWAR, MJ ;
HOJVAT, NL .
JOURNAL OF CHEMICAL PHYSICS, 1961, 34 (04) :1232-&
[5]   SPLIT P-ORBITAL (SPO) METHOD .3. RELATIONSHIP TO OTHER MO TREATMENTS AND APPLICATION TO BENZENE, BUTADIENE, AND NAPHTHALENE [J].
DEWAR, MJS ;
SABELLI, NL .
JOURNAL OF PHYSICAL CHEMISTRY, 1962, 66 (12) :2310-&
[6]  
DEWAR MJS, 1961, P ROY SOC LONDON, VA264, P431
[7]  
ELLISON FO, 1962, J CHEM PHYS, V38, P2444
[8]  
FISCHERHJALMARS I, 1964, MOLECULAR ORBITALS C, P361
[9]   RELATIVISTIC CORRECTION FOR ANALYTIC HARTREE-FOCK WAVE FUNCTIONS [J].
HARTMANN, H ;
CLEMENTI, E .
PHYSICAL REVIEW A-GENERAL PHYSICS, 1964, 133 (5A) :1295-&
[10]   ELECTRONEGATIVITY .1. ORBITAL ELECTRONEGATIVITY OF NEUTRAL ATOMS [J].
HINZE, J ;
JAFFE, HH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1962, 84 (04) :540-&