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Calculation of the electronic structure of ammonia, methylamine, and ethylamine by the method of geminals

✍ Scribed by I. Ts. Lyast

Publisher
SP MAIK Nauka/Interperiodica
Year
1973
Tongue
English
Weight
326 KB
Volume
14
Category
Article
ISSN
0022-4766

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πŸ“œ SIMILAR VOLUMES

The electronic structure of ionised mole
The electronic structure of ionised moleculesβ€”VIII: Ethylamine
✍ C. Krier; J. C. Lorquet; A. Berlingin πŸ“‚ Article πŸ“… 1974 πŸ› John Wiley and Sons 🌐 English βš– 843 KB

## Abstract Wavefunctions for the [C~2~H~5~NH~2~]^+^Λ™ ion in its electronic ground state have been calculated by two variants of the CNDO method. The potential energy surface, the reaction paths, the charge distribution and the overlap populations have been calculated as functions of the internucle