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Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization Effects

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Metadaten
Document Type:Article
Language:English
Author:Andreas Krämer, Frank C. Pickard, Jing Huang, Richard M. Venable, Andrew C. Simmonett, Dirk Reith, Karl N. Kirschner, Richard W. Pastor, Bernard R. Brooks
Parent Title (English):Journal of Chemical Theory and Computation
Volume:15
Issue:6
First Page:3854
Last Page:3867
ISSN:1549-9618
DOI:https://doi.org/10.1021/acs.jctc.9b00016
Pubmed Id:http://www.ncbi.nlm.nih.gov/pubmed?term=31002505
Publisher:ACS Publications
Place of publication:Washington, DC
Date of first publication:2019/04/19
Departments, institutes and facilities:Fachbereich Elektrotechnik, Maschinenbau, 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:2019/04/25