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Free energy calculations of small molecules in dense amorphous polymers. Effect of initial guess configuration in molecular dynamics studies.

van der Vegt, N. F. A. and Briels, W. J. and Wessling, M. and Strathmann, H. (1996):
Free energy calculations of small molecules in dense amorphous polymers. Effect of initial guess configuration in molecular dynamics studies.
In: J. Chem. Phys., p. 8849, (105), [Article]

Item Type: Article
Erschienen: 1996
Creators: van der Vegt, N. F. A. and Briels, W. J. and Wessling, M. and Strathmann, H.
Title: Free energy calculations of small molecules in dense amorphous polymers. Effect of initial guess configuration in molecular dynamics studies.
Language: English
Journal or Publication Title: J. Chem. Phys.
Number: 105
Divisions: Zentrale Einrichtungen
07 Department of Chemistry > Computational Physical Chemistry
UNSPECIFIED
07 Department of Chemistry
Date Deposited: 02 Mar 2010 14:48
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