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Cooperative effects in the transport of small molecules through an amorphous polymer matrix

✍ Scribed by Florian Müller-Plathe; Leif Laaksonen; Wilfred F. van Gunsteren

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 369 KB
Volume: 11
Category: Article
ISSN: 0263-7855
DOI: 10.1016/0263-7855(93)87006-q

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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