GROUND STATES OF CONJUGATED MOLECULES .I. SEMIEMPIRICAL SCF MO TREATMENT AND ITS APPLICATION TO AROMATIC HYDROCARBONS

被引:204
作者
CHUNG, ALH
DEWAR, MJS
机构
关键词
D O I
10.1063/1.1696003
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:756 / &
相关论文
共 21 条
[1]   RESONANCE ENERGIES AND CHARGE DISTRIBUTIONS OF UNSATURATED HYDROCARBON RADICALS AND IONS [J].
BRICKSTOCK, A ;
POPLE, JA .
TRANSACTIONS OF THE FARADAY SOCIETY, 1954, 50 (09) :901-911
[2]  
CHUNG ALH, 1964, MOLECULAR ORBITALS C
[3]   HEPTALENE [J].
DAUBEN, HJ ;
BERTELLI, DJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1961, 83 (22) :4659-&
[4]   SPO (SPLIT-P-ORBITAL) METHOD .4. CALCULATIONS FOR (2P)2 STATE OF HELIUM [J].
DEWAR, MJ ;
CHUNG, ALH .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (07) :1741-&
[5]   RESONANCE AND CONJUGATION .2. FACTORS DETERMINING BOND LENGTHS AND HEATS OF FORMATION [J].
DEWAR, MJS ;
SCHMEISING, HN .
TETRAHEDRON, 1960, 11 (1-2) :96-120
[6]   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-&
[7]   A MOLECULAR ORBITAL THEORY OF ORGANIC CHEMISTRY .4. FREE RADICALS [J].
DEWAR, MJS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1952, 74 (13) :3353-3354
[8]  
GOEPPERTMAYER M, 1938, J CHEM PHYS, V6, P635
[9]   Quantum contributions to the benzene problem. [J].
Hueckel, Erich .
ZEITSCHRIFT FUR PHYSIK, 1931, 70 (3-4) :204-286
[10]   NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY OF A SERIES OF ANNULENES AND DEHYDRO-ANNULENES [J].
JACKMAN, LM ;
GAONI, Y ;
WOLOVSKY, R ;
BENEFRAIM, DA ;
BOTHNERBY, AA ;
SONDHEIMER, F ;
AMIEL, Y .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1962, 84 (22) :4307-&