Quasi general harmonic force field and mode anharmonicity of the hypophosphite ion normal vibrations
β Scribed by V. Tabacik; M. Abenoza
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 887 KB
- Volume
- 27
- Category
- Article
- ISSN
- 0022-2860
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π SIMILAR VOLUMES
A new approach to the empirical force field determination by the adaptive optimization method is studied. The problem is conceived as a multi parameter optimization task and solved hy the genetic algorithms (GA). The principles of the approach and the most efticient GA strategies are presented. Wi
## Abstract The geometry, harmonic and anharmonic force fields, and fundamental vibrational frequencies of __cis__β and __trans__βthiolformic acid are studied __ab initio__ in the 4β31G basis set. An extensive comparison is made between changes in diagonal and offβdiagonal quadratic and cubic force