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Structural Dynamics of Free Amino Acids in Diffraction

✍ Scribed by Dr. I-Ren Lee; Dr. Andreas Gahlmann; Prof. Ahmed H. Zewail

Publisher
John Wiley and Sons
Year
2011
Tongue
English
Weight
945 KB
Volume
51
Category
Article
ISSN
0044-8249

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## Abstract Correlation times for rotation of deuterated methyls in crystalline leucine, valine, and cyclo‐L‐alanyl‐L‐alanine are calculated with molecular dynamics and compared with NMR data. The simulations distinguish between methyls having different steric environments in the crystal, yielding