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Conformational and Spectroscopic Analysis of the Tyrosyl Radical Dipeptide Analogue in the Gas Phase and in Aqueous Solution by a Density Functional/Continuum Solvent Model

✍ Scribed by Langella, Emma; Improta, Roberto; Barone, Vincenzo


Book ID
126788066
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
166 KB
Volume
124
Category
Article
ISSN
0002-7863

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Conformational analysis of the tyrosine
✍ Emma Langella; Nadia Rega; Roberto Improta; Orlando Crescenzi; Vincenzo Barone πŸ“‚ Article πŸ“… 2002 πŸ› John Wiley and Sons 🌐 English βš– 173 KB πŸ‘ 1 views

## 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