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A Nine-Dimensional Calculation of the Vibrational OH Stretching and HOH Bending Spectrum of the Water Trimer

✍ Scribed by Salmi, Teemu; Sälli, Elina; Halonen, Lauri


Book ID
126880331
Publisher
American Chemical Society
Year
2012
Tongue
English
Weight
795 KB
Volume
116
Category
Article
ISSN
1089-5639

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A molecular dynamics study of the OH str
✍ 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