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