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A molecular dynamics study of the far infrared spectrum of liquid water

✍ Scribed by Guillot, Bertrand

Book ID
115519087
Publisher
American Institute of Physics
Year
1991
Tongue
English
Weight
988 KB
Volume
95
Category
Article
ISSN
0021-9606

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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