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Comparison and optimization of fixed-point charge and polarizable force fields for the simulation of water-alkane systems

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Document Type:Conference Object
Author:Andreas Kraemer, Frank Pickard, Jing Huang, Richard Venable, Dirk Reith, Karl Kirschner, Richard Pastor, Bernard Brooks
Parent Title (English):Abstracts of Papers, 254th ACS National Meeting & Exposition, Washington, DC, USA, August 20-24, 2017
First Page:COMP-315
Publisher:American Chemical Society
Place of publication:Washington, DC
Date of first publication:2017/08/20
Departments, institutes and facilities:Fachbereich Elektrotechnik, Maschinenbau und Technikjournalismus
Institut für Technik, Ressourcenschonung und Energieeffizienz (TREE)
Dewey Decimal Classification (DDC):5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften
Entry in this database:2017/10/19