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The derivation of vibration-rotation kinetic energy operators in internal coordinates. II

✍ Scribed by COLWELL, SUSAN M.; HANDY, NICHOLAS C.

Book ID
121751392
Publisher
Taylor and Francis Group
Year
1997
Tongue
English
Weight
222 KB
Volume
92
Category
Article
ISSN
0026-8976

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Vibration–internal rotation–overall rotation interactions in CH3OH. II. Vibration introduced τ-dependence to the reduced kinetic energy coefficient for internal rotation
✍ 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