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Comparison and optimization of fixed-point charge and polarizable force fields for the simulation of water-alkane systems
Document Type: | Conference Object |
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Language: | English |
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 |
Article Number: | COMP-315 |
Publisher: | American Chemical Society |
Place of publication: | Washington, DC |
Date of first publication: | 2017/08/20 |
Departments, institutes and facilities: | Fachbereich Ingenieurwissenschaften und Kommunikation |
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 |