## Abstract 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.
On the INDO calculations of N32− and N4− free radicals
✍ Scribed by N.D. Chuvylkin; G.M. Zhidomirov; I.M. Umansky
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 314 KB
- Volume
- 33
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
&-tensors as ~.vell as anisotropic and isotropic hype&x coupling constar~ts hnve been calculeled for the N:-and NT free radicals. The adequacy of the INDO method is discussed in relation with the results of a pretious ab iniiio calculation.
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