The molecular vibration–rotation kinetic-energy operator for general internal coordinates
✍ Scribed by James K.G. Watson
- Book ID
- 108185103
- Publisher
- Elsevier Science
- Year
- 2004
- Tongue
- English
- Weight
- 429 KB
- Volume
- 228
- Category
- Article
- ISSN
- 0022-2852
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📜 SIMILAR VOLUMES
Vibration-internal rotation-rotation interaction theory has been used to calculate the s-dependence of F, the reduced kinetic energy coefficient for internal rotation for CH 3 OH from molecular structure. The leading term is À3:2 Â 10 À5 cos 3s as a fraction of F 0 . Smaller terms are 1:5 Â 10 À7 co
The zeroth order kinetic energy is developed for the vibrating-internally rotating-rotating CH 3 OH molecule using the general theory of Guan and Quade for large amplitude internal motion-vibration-rotation interactions in molecules. The R and T transformations are applied, respectively, to separate
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