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Effects of the position and manner of hydration on the stability of solvated N-methylacetamides and the strength of binding between N-methylacetamide and water clusters: a computational study

✍ Scribed by Xiuchan Xiao; Ying Tan; Lijuan Zhu; Yanzhi Guo; Zhining Wen; Menglong Li; Xuemei Pu; Anmin Tian


Book ID
113053273
Publisher
Springer-Verlag
Year
2011
Tongue
English
Weight
452 KB
Volume
18
Category
Article
ISSN
1610-2940

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The e †ects of hydration on the structure and vibrational force Ðeld of the peptide group were examined by performing ab initio molecular orbital (MO) calculations on N-methylacetamide (NMA) and its clusters with up to three water molecules. The dielectric solvent e †ect was taken into account by th