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A Density Functional Study of the Addition of Water to SO 3 in the Gas Phase and in Aqueous Solution

✍ Scribed by Meijer, Evert Jan; Sprik, Michiel


Book ID
126118447
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
118 KB
Volume
102
Category
Article
ISSN
1089-5639

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## Abstract The conformational behavior of a dipeptide analogue of tyrosine (TDA) has been investigated by density functional methods using the polarizable continuum model (PCM) for the description of solvent effects. Our study points out the interplay of backbone and side chain contributions in de