Schwörer, Magnus; Breitenfeld, Benedikt; Tröster, Philipp; Bauer, Sebastian; Lorenzen, Konstantin; Tavan, Paul und Mathias, Gerald
(25. June 2013):
Coupling density functional theory to polarizable force fields for efficient and accurate Hamiltonian molecular dynamics simulations.
In: Journal of Chemical Physics, Vol. 138, 244103
[PDF, 1MB]
DOI: 10.1063/1.4811292
External fulltext: http://scitation.aip.org/content/aip/journal/jcp/138/24/10.1063/1.4811292
| Item Type: | Journal article |
|---|---|
| Form of publication: | Publisher's Version |
| Faculties: | Physics |
| Subjects: | 500 Science > 530 Physics |
| URN: | urn:nbn:de:bvb:19-epub-17452-0 |
| Alliance/National Licence: | This publication is with permission of the rights owner freely accessible due to an Alliance licence and a national licence (funded by the DFG, German Research Foundation) respectively. |
| Language: | English |
| Item ID: | 17452 |
| Date Deposited: | 18. Nov 2013 08:07 |
| Last Modified: | 08. May 2024 08:20 |
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