ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The spin densities of the radical anions from 4-methylcatechol, 4-carboxylic catechol, and 3-methylcatechol were calculated by means of the INDO method with the geometrical parameter adjusting method. The observed protion hyperfine coupling constants were exactly reproduced.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560180204
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