Geometrical parameters for pyridine have been calculated using the 6-31G, 6-31G\*(5D), 6-31G\*\*(6D), and 6-31G(2 x 6D) basis sets. Comparisons are made with a microwave substitution structure and with results of other ab initio calculations reported in the literature. Particular attention is paid t
Effective Hamiltonian for calculating thermochemical and geometric parameters of organic molecules
โ Scribed by A. M. Gyul'maliev
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1986
- Tongue
- English
- Weight
- 315 KB
- Volume
- 27
- Category
- Article
- ISSN
- 0022-4766
No coin nor oath required. For personal study only.
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