QUANTUM CHEMICAL MODEL OF POTENTIAL-ENERGY SURFACE OF ETHYL CATION IN REALM OF CLASSICAL AND NON-CLASSICAL STRUCTURES

被引:28
作者
HEIDRICH, D [1 ]
GRIMMER, M [1 ]
KOHLER, HJ [1 ]
机构
[1] KARL MARX UNIV,SEKT CHEM,DDR-701 LEIPZIG,GER DEM REP
关键词
D O I
10.1016/0040-4020(76)85045-4
中图分类号
O62 [有机化学];
学科分类号
070303 ; 081704 ;
摘要
引用
收藏
页码:1193 / 1198
页数:6
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共 26 条
[21]   A SIMPLEX-METHOD FOR FUNCTION MINIMIZATION [J].
NELDER, JA ;
MEAD, R .
COMPUTER JOURNAL, 1965, 7 (04) :308-313
[22]  
PANCIR J, IN PRESS
[23]  
PFEIFFER GV, 1970, J AM CHEM SOC, V92, P2143
[24]   STRUCTURE OF C2H5+ AT LOW VIBRATIONAL ENERGIES [J].
VORACHEK, JH ;
MEISELS, GG ;
GEANANGE.RA ;
EMMEL, RH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (12) :4078-4080
[25]   Barriers in ethyl cations [J].
Williams, JE ;
Buss, V ;
Allen, LC ;
Schleyer, PV ;
Lathan, WA ;
Hehre, WJ ;
Pople, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (07) :2141-2143
[26]   HAVE IONS C2H3+ AND C2H5+ CLASSICAL OR NON-CLASSICAL STRUCTURE [J].
ZURAWSKI, B ;
AHLRICHS, R ;
KUTZELNIGG, W .
CHEMICAL PHYSICS LETTERS, 1973, 21 (02) :309-313