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The influence of dipole—dipole interaction on the low-frequency vibrations in alpha-helix proteins

✍ Scribed by Wen-Ge Han

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
278 KB
Volume
43
Category
Article
ISSN
0301-4622

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A molecular analysis of the vibrational energy relaxation mechanism of the CN− ion in water based upon path integral influence functional theory combined with a dipole expansion of the solute–solvent interaction
✍ Yoshiyuki Okamoto; Taiji Mikami; Noriyuki Yoshii; Susumu Okazaki 📂 Article 📅 2007 🏛 Elsevier Science 🌐 English ⚖ 660 KB

The molecular mechanism of vibrational energy relaxation of the CN -ion in water has been investigated using path integral influence functional theory combined with a dipole expansion of the solute-solvent interaction. First, in order to find out which solvent water molecules contribute most to the