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On the Importance of the Classically Forbidden Region in Calculations of the Relaxation Rate for High-Frequency Vibrations: A Model Calculation †

✍ Scribed by Herman, Michael F.; Ding, Feng


Book ID
127253206
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
60 KB
Volume
111
Category
Article
ISSN
1089-5639

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