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Comparison of Force Fields on the Basis of Various Model Approaches-How To Design the Best Model for the [C n MIM][NTf 2 ] Family of Ionic Liquids
Document Type: | Article |
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Language: | English |
Author: | Thorsten Köddermann, Dirk Reith, Ralf Ludwig |
Parent Title (English): | ChemPhysChem |
Volume: | 14 |
Issue: | 14 |
First Page: | 3368 |
Last Page: | 3374 |
ISSN: | 1439-7641 |
DOI: | https://doi.org/10.1002/cphc.201300486 |
PMID: | https://pubmed.ncbi.nlm.nih.gov/23943352 |
Publisher: | Wiley-VCH |
Date of first publication: | 2013/08/13 |
Keyword: | GROW; force fields; ionic liquids; molecular dynamics; quantum mechanics |
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 / 541 Physikalische Chemie |
Entry in this database: | 2015/04/02 |