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Non-empirical calculations on the conformational structure of azobenzene and benzylideneaniline

✍ Scribed by Andreas Wolf

Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
797 KB
Volume
67
Category
Article
ISSN
0022-2860

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Non-empirical calculations on the confor
Non-empirical calculations on the conformation and hyperfine structure of the silyl radical influence of vibrational effects
✍ V. Barone; J. Douady; Y. Ellinger; R. Subra; F. Pauzat πŸ“‚ Article πŸ“… 1979 πŸ› Elsevier Science 🌐 English βš– 638 KB

An zbinitio spin-resrricred SCF and perturbative confintion interaction study of the silyi radical is presented-The vi-b\_stionzl dependence of isotropic coupiin~ constsnts is investigtcd using doubIc-zct3 ztd double-zet3 pIus pokuizttion basis se"& The czdcuhtions predict P rxxrIy tetmhedml geometr