Nonadditive Empirical Force Fields for Short-Chain Linear Alcohols: Methanol to Butanol. Hydration Free Energetics and Kirkwood−Buff Analysis Using Charge Equilibration Models-Reference-Cited by-同舟云学术

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

Published:2010-08-05 Issue:34 Volume:114 Page:11076-11092
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Zhong Yang¹,Patel Sandeep¹

Affiliation:

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

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp101597r

Reference122 articles.

1. Dynamic properties of water/alcohol mixtures studied by computer simulation

2. Optimized intermolecular potential functions for liquid alcohols

3. Alcohols, ethers, carbohydrates, and related compounds. I. The MM4 force field for simple compounds

4. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

5. Hydrogen bonding in condensed-phase alcohols: some keys to understanding their structure and dynamics

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