Nonadditive Empirical Force Fields for Short-Chain Linear Alcohols: Methanol to Butanol. Hydration Free Energetics and Kirkwood−Buff Analysis Using Charge Equilibration Models

Yang Zhong; Sandeep Patel

doi:10.1021/jp101597r

journal article Aug 05, 2010

Nonadditive Empirical Force Fields for Short-Chain Linear Alcohols: Methanol to Butanol. Hydration Free Energetics and Kirkwood−Buff Analysis Using Charge Equilibration Models

Yang Zhong

Sandeep Patel

The Journal of Physical Chemistry B Vol. 114 No. 34 pp. 11076-11092 · American Chemical Society (ACS)

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Details

Published: Aug 05, 2010
Vol/Issue: 114(34)
Pages: 11076-11092

Authors

Y

Yang Zhong

Department of Chemistry and Biochemistry, 238 Brown Lab, University of Delaware, Newark, Delaware 19716

S

Sandeep Patel

Department of Chemistry and Biochemistry, 238 Brown Lab, University of Delaware, Newark, Delaware 19716

Cite This Article

Yang Zhong, Sandeep Patel (2010). Nonadditive Empirical Force Fields for Short-Chain Linear Alcohols: Methanol to Butanol. Hydration Free Energetics and Kirkwood−Buff Analysis Using Charge Equilibration Models. The Journal of Physical Chemistry B, 114(34), 11076-11092. https://doi.org/10.1021/jp101597r

Nonadditive Empirical Force Fields for Short-Chain Linear Alcohols: Methanol to Butanol. Hydration Free Energetics and Kirkwood−Buff Analysis Using Charge Equilibration Models

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