AB-INITIO STUDY ON STABILITY, GEOMETRY AND ELECTRONIC-STRUCTURE OF CYCLOPROPENYL SYSTEM

被引:35
作者
HA, TK [1 ]
GRAF, F [1 ]
GUNTHARD, HH [1 ]
机构
[1] SWISS FED INST TECHNOL,PHYS CHEM LAB,ZURICH,SWITZERLAND
关键词
D O I
10.1016/0022-2860(73)80002-X
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:335 / 350
页数:16
相关论文
共 30 条
[1]   GROUND STATES OF SIGMA-BONDED MOLECULES .4. MINDO METHOD AND ITS APPLICATION TO HYDROCARBONS [J].
BAIRD, NC ;
DEWAR, MJS .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) :1262-&
[2]   SMALL ANTIAROMATIC RINGS [J].
BRESLOW, R .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1968, 7 (08) :565-&
[3]  
BRESLOW R, 1968, CHEM BRIT, V4, P100
[4]  
BRESLOW R, 1965, CHEM ENG NEWS
[5]  
CLARK DT, 1969, CHEM COMMUN, P637
[6]  
COULSON CA, 1949, PHILOS MAG, V40, P1
[7]   GROUND STATES OF CONJUGATED MOLECULES .9. HYDROCARBON RADICALS AND RADICAL IONS [J].
DEWAR, MJS ;
HASHMALL, JA ;
VENIER, CG .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (08) :1953-&
[8]   ELECTRONIC ABSORPTION SPECTRUM OF CYCLOPENTADIENYL RADICAL (C5H5) AND ITS DEUTERATED DERIVATIVES [J].
ENGLEMAN, R ;
RAMSAY, DA .
CANADIAN JOURNAL OF PHYSICS, 1970, 48 (08) :964-&
[9]   SCF DETERMINATION OF GROUND AND EXCITED STATES OF NO2 [J].
FINK, WH .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (11) :5054-&
[10]   ON GAUSSIAN-LOBE REPRESENTATION OF ATOMIC ORBITALS [J].
HARRISON, JF .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (03) :1115-&