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Molecular dynamics study of reorientational motion in solid benzene

โœ Scribed by Craven, C.J.; Hatton, P.D.; Pawley, G.S.


Book ID
119945999
Publisher
Taylor and Francis Group
Year
1993
Tongue
English
Weight
773 KB
Volume
79
Category
Article
ISSN
0026-8976

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๐Ÿ“œ SIMILAR VOLUMES


Internal motion of benzene. A molecular
โœ Aatto Laaksonen; Jian Wang; Russell J. Boyd ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 612 KB

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