A molecular analysis of the vibrational
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Yoshiyuki Okamoto; Taiji Mikami; Noriyuki Yoshii; Susumu Okazaki
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Article
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2007
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Elsevier Science
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English
β 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