The Electrostatic Calculation of Molecular Energies. IV. Optimum Paired-Electron Orbitals and the Electrostatic Method
β Scribed by Hurley, A. C.
- Book ID
- 120146202
- Publisher
- The Royal Society
- Year
- 1956
- Tongue
- English
- Weight
- 532 KB
- Volume
- 235
- Category
- Article
- ISSN
- 0962-8444
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π SIMILAR VOLUMES
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## Abstract For the purpose of executing direct dynamic and statistical calculation of chemical reactions in solution, we proposed an optimum strategy using semiempirical molecular orbital (MO) method with neglect of diatomic differential overlap (NDDO) approximation with specific solution reaction