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http://dx.doi.org/10.5012/bkcs.2005.26.6.909

Computational Study of Proline - Water Cluster  

Lee, Kyung-Min (College of Environmental Science and Applied Chemistry (BK21), Kyunghee University)
Park, Sung-Woo (College of Environmental Science and Applied Chemistry (BK21), Kyunghee University)
Jeon, In-Sun (College of Environmental Science and Applied Chemistry (BK21), Kyunghee University)
Lee, Bo-Ra (College of Environmental Science and Applied Chemistry (BK21), Kyunghee University)
Ahn, Doo-Sik (College of Environmental Science and Applied Chemistry (BK21), Kyunghee University)
Lee, Sung-Yul (College of Environmental Science and Applied Chemistry (BK21), Kyunghee University)
Publication Information
Bulletin of the Korean Chemical Society / v.26, no.6, 2005 , pp. 909-912 More about this Journal
Abstract
Calculations are presented for the structures of various conformers of the bare proline and proline –($H_2O$) cluster. The effects of hydrogen bonding with a water molecule on the relative stability of the low energy conformers of proline are examined. Microsolvation by a water molecule is predicted to affect the relative stability, structures and the infrared frequencies of the conformers to a large degree.
Keywords
Proline; Water; Cluster;
Citations & Related Records
Times Cited By KSCI : 2  (Citation Analysis)
Times Cited By Web Of Science : 12  (Related Records In Web of Science)
Times Cited By SCOPUS : 12
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