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Vibrational Analysis of Amino Acids and Short Peptides in Hydrated Media. VIII. Amino Acids with Aromatic Side Chains: l -Phenylalanine, l -Tyrosine, and l -Tryptophan

✍ Scribed by Hernández, Belén; Pflüger, Fernando; Adenier, Alain; Kruglik, Sergei G.; Ghomi, Mahmoud

Book ID
118136494
Publisher
American Chemical Society
Year
2010
Tongue
English
Weight
639 KB
Volume
114
Category
Article
ISSN
0022-3654

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Geometry optimization at the B3LYP/6-31++G Ã level of calculation have been undertaken on clusters containing L-Threonine (L-Thr) or L-serine (L-Ser) surrounded by seven water molecules. This first step has been followed by the calculation of the harmonic vibrational modes. The comparison of the str