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Two-phonon spectrum of diamond: A molecular dynamics study

✍ Scribed by C.Z. Wang; C.T. Chan; K.M. Ho


Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
282 KB
Volume
76
Category
Article
ISSN
0038-1098

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A molecular dynamics study of the OH str
✍ R. Bansil; T. Berger; K. Toukan; M.A. Ricci; S.H. Chen πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 706 KB

A classical molecular dynamics (CMD) study has been carried out to investigate the OH stretching spectrum of liquid water. The potential used is the simple point charge model modified to include anharmonic vibrational potentials. A series of CMD runs were made for a system of 100 water molecules. Sp