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Calculations of p-alkyltoluenes and their radicalcations by the MINDO/3 method

Authors :
Voronenkov, V. V.
Kokorev, V. N.
Source :
Theoretical and Experimental Chemistry; May 1990, Vol. 26 Issue: 3 p325-327, 3p
Publication Year :
1990

Abstract

p-Cymene and p-cyclopropyltoluene and their radical-cations were calculated by the LCAO-MO SCF method in the MINDO/3 valence approximation. It was shown that the radical-cations are stabilized through s,p conjugation of the methyl groups.

Details

Language :
English
ISSN :
00405760 and 1573935X
Volume :
26
Issue :
3
Database :
Supplemental Index
Journal :
Theoretical and Experimental Chemistry
Publication Type :
Periodical
Accession number :
ejs15669342
Full Text :
https://doi.org/10.1007/BF00641343