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Cation−π Interactions: Structures and Energetics of Complexation of Na + and K + with the Aromatic Amino Acids, Phenylalanine, Tyrosine, and Tryptophan

✍ Scribed by Ruan, Chunhai; Rodgers, M. T.


Book ID
126012793
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
403 KB
Volume
126
Category
Article
ISSN
0002-7863

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## Abstract High‐level __ab initio__ calculations have been carried out to study weak CH/π interactions and as a check of the CHARMM force field for aromatic amino acids. Comparisons with published data indicate that the MP2/cc‐pVTZ level of theory is suitable for calculations of CH/π interaction,