THE ELECTRONIC STRUCTURE OF TRANS-BUTADIENE CALCULATED BY THE STANDARD EXCITED STATE METHOD

被引:21
作者
HALL, GG
机构
来源
TRANSACTIONS OF THE FARADAY SOCIETY | 1954年 / 50卷 / 08期
关键词
D O I
10.1039/tf9545000773
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:773 / 779
页数:7
相关论文
共 13 条
[1]   THE MOLECULAR ORBITAL THEORY OF CHEMICAL VALENCY .8. A METHOD OF CALCULATING IONIZATION POTENTIALS [J].
HALL, GG .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1951, 205 (1083) :541-552
[2]   THE MOLECULAR ORBITAL THEORY OF CHEMICAL VALENCY .10. A METHOD OF CALCULATING THE IONIZATION POTENTIALS OF CONJUGATED MOLECULES [J].
HALL, GG .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1952, 213 (1112) :102-113
[3]   IONIZATION POTENTIALS OF SOME HYDROCARBON SERIES [J].
HONIG, RE .
JOURNAL OF CHEMICAL PHYSICS, 1948, 16 (02) :105-112
[4]  
LENNARDJONES J, 1951, DISCUSS FARADAY SOC, V10, P18
[5]   Note on an approximation treatment for many-electron systems [J].
Moller, C ;
Plesset, MS .
PHYSICAL REVIEW, 1934, 46 (07) :0618-0622
[8]   A SEMI-EMPIRICAL THEORY OF THE ELECTRONIC SPECTRA AND ELECTRONIC STRUCTURE OF COMPLEX UNSATURATED MOLECULES .1. [J].
PARISER, R ;
PARR, RG .
JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (03) :466-471
[9]   A SEMI-EMPIRICAL THEORY OF THE ELECTRONIC SPECTRA AND ELECTRONIC STRUCTURE OF COMPLEX UNSATURATED MOLECULES .2. [J].
PARISER, R ;
PARR, RG .
JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (05) :767-776
[10]   LCAO SELF-CONSISTENT FIELD CALCULATION OF THE PI-ELECTRON ENERGY LEVELS OF CIS-1,3-BUTADIENE AND TRANS-1,3-BUTADIENE [J].
PARR, RG ;
MULLIKEN, RS .
JOURNAL OF CHEMICAL PHYSICS, 1950, 18 (10) :1338-1346