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Vibrational spectrum of the geminal hydroxyl groups on a silica surface. A molecular dynamics study

โœ Scribed by K.S. Smirnov


Book ID
108027794
Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
420 KB
Volume
4
Category
Article
ISSN
0924-2031

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A molecular dynamics study of the OH str
โœ R. Bansil; T. Berger; K. Toukan; M.A. Ricci; S.H. Chen ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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