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-Reference-Cited by-同舟云学术

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

Published:2011-07-15 Issue:4 Volume:18 Page:1389-1399
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Xiao Xiuchan,Tan Ying,Zhu Lijuan,Guo Yanzhi,Wen Zhining,Li Menglong,Pu Xuemei,Tian Anmin

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

http://link.springer.com/content/pdf/10.1007/s00894-011-1166-5.pdf

Reference44 articles.

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2. Kubelka J, Keiderling TA (2001) Ab initio calculation of amide carbonyl stretch vibrational frequencies in solution with modified basis sets. 1. N-methyl acetamide. J Phys Chem A 105:10922–10928

3. Rocha WR, De Almeida KJ, Coutinho K, Canuto S (2001) The electronic spectrum of N-methylacetamide in aqueous solution: a sequential Monte Carlo/quantum mechanical study. Chem Phys Lett 345:171–178

4. Akiyama M (2002) Study on hydration enthalpy of N-methylacetamide in water. Spectrochim Acta A 58:1943–1950

5. Ham S, Kim JH, Lee H, Cho MH (2003) Correlation between electronic and molecular structure distortions and vibrational properties. II. Amide I modes of NMA-nD(2)O complexes. J Chem Phys 118:3491–3498

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