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Atomistically Modeling the Chemical Potential of Small Molecules in Dense Polymer Microstructures. 1. Method

โœ Scribed by Knopp, Birgitta; Suter, Ulrich W.; Gusev, Andrei A.


Book ID
127209157
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
269 KB
Volume
30
Category
Article
ISSN
0024-9297

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## Abstract The development, validation, and first applications of a generalized version of an inverse Widom method are described. It permits the calculation of solubility coefficients for molecules as large as, e.g., benzene in all polymers for which reasonable forcefield parameters exist. Predict