Molecular orbital study of some heterocycles containing nitrogen and sulphur
β Scribed by N. K. Ray; P. T. Narasimhan
- Publisher
- Springer
- Year
- 1966
- Tongue
- English
- Weight
- 286 KB
- Volume
- 5
- Category
- Article
- ISSN
- 1432-2234
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π SIMILAR VOLUMES
The properties of a number of electron donor-acceptor and hydrogen-bonded complexes formed between sulphur dioxide and the series of molecules ammonia, water, hydrogen fluoride, phosphine, hydrogen sulphide and hydrogen chloride have been determined by means of ab initio molecular orbital calculatio
## Abstract Molecularβorbital calculations of structural static parameters (bond orders, Οβelectron densities and free valences) and dynamic indices (atom, __ortho__β and __para__βlocalization energies) are presented for a number of naphthindoles. The results are used to predict the chemical proper