Interactions of Water and Alkanes: Modifying Additive Force Fields to Account for Polarization Effects
Document Type: | Article |
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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 |
PMID: | https://pubmed.ncbi.nlm.nih.gov/31002505 |
Publisher: | American Chemical Society (ACS) |
Place of publication: | Washington, DC |
Date of first publication: | 2019/04/19 |
Copyright: | © 2019 American Chemical Society |
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: | 2019/04/25 |