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Temperature Dependence of Water Vibrational Spectrum: A Molecular Dynamics Simulation Study

✍ Scribed by Praprotnik, Matej; Janežič, Dušanka; Mavri, Janez

Book ID
120288587
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
190 KB
Volume
108
Category
Article
ISSN
1089-5639

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📜 SIMILAR VOLUMES

A molecular dynamics study of the OH str
A molecular dynamics study of the OH stretching vibrational spectrum of liquid water
✍ R. Bansil; T. Berger; K. Toukan; M.A. Ricci; S.H. Chen 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 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