On the Calculation of Henry's Law Constants of Chlorinated Benzenes in Water from Semiempirical Quantum Chemical Methods
Author:
Affiliation:
1. Theoretical and Computational Chemistry Group, Faculty of Chemical Sciences, Universidad de Concepcion, Casilla 160-C, Concepcion, Chile
Publisher
American Chemical Society (ACS)
Subject
Computational Theory and Mathematics,Computer Science Applications,Information Systems,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci0101206
Reference30 articles.
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2. Kondepudi, D.; Prigogine, I.Modern Thermodynamics: From HeatEngines to Dissipative Structures;John Wiley & Sons Ltd. Chichester, 1998; p 202.
3. Henry’s law constant for diatomic and polyatomic Lennard‐Jones molecules
4. A simple molecular dynamics simulation for calculating Henry's constant and solubility of gases in liquids
5. Molecular Simulation of Henry's Constant at Vapor−Liquid and Liquid−Liquid Phase Boundaries
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