Convergence of Sampling Kirkwood–Buff Integrals of Aqueous Solutions with Molecular Dynamics Simulations
Author:
Affiliation:
1. Center of Smart Interfaces, Technische Universität Darmstadt, Petersenstrasse 17, 64287 Darmstadt, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct301017q
Reference37 articles.
1. The Statistical Mechanical Theory of Solutions. I
2. Inversion of the Kirkwood–Buff theory of solutions: Application to the water–ethanol system
3. Kirkwood–Buff derived force field for mixtures of acetone and water
4. A Kirkwood−Buff Derived Force Field for Mixtures of Urea and Water
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