ELECTRONIC STRUCTURE OF NON-ALTERNANT HYDROCARBONS THEIR ANALOGUES AND DERIVATIVES .16. PERI-CONDENSED TRICYCLIC SYSTEMS - EFFECTS OF MOLECULAR GEOMETRY AND CHOICE OF MOLECULAR ORBITALS ON CHARACTERISTICS OF ELECTRONIC SPECTRA CALCULATED BY LCI METHOD

被引：47
作者：
HOCHMANN, P
ZAHRADNI.R
KVASNICK.V
机构：
来源：
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS | 1968年 / 33卷 / 11期
关键词：
D O I：
10.1135/cccc19683478
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：3478 / &
相关论文
共 15 条
[1]   IST DIE MOLEKEL EIN BIRADIKAL [J].
BAUMGARTNER, P ;
WELTIN, E ;
WAGNIERE, G ;
HEILBRONNER, E .
HELVETICA CHIMICA ACTA, 1965, 48 (04) :751-+
[2]  
CONDON EU, 1963, THEORY ATOMIC SPECTR, P169
[3]  
HOCHMANN P, UNPUBLISHED RESULTS
[4]  
HOCHMANN P, IN PRESS
[5]   CALCULATION OF ELECTRONIC SPECTRA OF NONALTERNANT CONJUGATED HYDROCARBONS BY SEMIEMPIRICAL METHOD OF LIMITED CONFIGURATION INTERACTION [J].
KOUTECKY, J ;
HOCHMAN, P ;
MICHL, J .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (09) :2439-&
[6]   CALCULATION OF P-BAND POSITIONS OF AROMATIC POLYCYCLIC HYDROCARBONS BY LIMITED CONFIGURATION INTERACTION METHOD [J].
KOUTECKY, J ;
PALDUS, J ;
ZAHRADNIK, R .
JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (12) :3129-&
[7]  
Mataga N., 1957, Z PHYS CHEM, V13, P140, DOI [10.1524/zpch.1957.13.3_4.140, DOI 10.1524/ZPCH.1957.13.3_4.140]
[8]  
MICHL J, 1965, THESIS CZECHOSLOVAK
[9]  
PARR RG, 1963, QUANTUM THEORY MOLEC
[10]   ELECTRON INTERACTION IN UNSATURATED HYDROCARBONS [J].
POPLE, JA .
TRANSACTIONS OF THE FARADAY SOCIETY, 1953, 49 (12) :1375-1385
12