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Motion of twist defects in crystalline polyethylene: A molecular-dynamics study

✍ Scribed by Zhang, Fei


Book ID
121348788
Publisher
The American Physical Society
Year
1999
Tongue
English
Weight
209 KB
Volume
59
Category
Article
ISSN
1098-0121

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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