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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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Vibration–internal rotation–overall rota
✍ C.Richard Quade 📂 Article 📅 2003 🏛 Elsevier Science 🌐 English ⚖ 117 KB

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

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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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