The internal motion of benzene is studied in the gas phase at 30 and 300 K and in the liquid phase at 300 K by means of a molecular dynamics method based on a hybrid of quantum and molecular mechanical force fields. The fluctuations of bond lengths, bond angles and torsional angles are calculated an
A theoretical study of internal conversion in benzene
β Scribed by S. Rashev
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 389 KB
- Volume
- 217
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The internal conversion (IC) process has been studied and nonradiative lifetimes of the vibrational levels 1 s) = 6' 1" (n = 0, 1, 2, 3) of Si benzene have been estimated. The analysis was based on a direct count algorithm, yielding the vibrational level density effectively involved in the IC process as well as the relevant mean nonadiabatic coupling strength.
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