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1 Ergebnisse
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Coupling density functional theory to polarizable force fie..:
Schwörer, Magnus
;
Breitenfeld, Benedikt
;
Tröster, Philipp
...
The Journal of Chemical Physics. 138 (2013) 24 - p. , 2013
Link:
https://doi.org/10.1063/1.4811292
RT Journal T1
Coupling density functional theory to polarizable force fields for efficient and accurate Hamiltonian molecular dynamics simulations
UL https://suche.suub.uni-bremen.de/peid=cr-10.1063_1.4811292&Exemplar=1&LAN=DE A1 Schwörer, Magnus A1 Breitenfeld, Benedikt A1 Tröster, Philipp A1 Bauer, Sebastian A1 Lorenzen, Konstantin A1 Tavan, Paul A1 Mathias, Gerald PB AIP Publishing YR 2013 SN 0021-9606 SN 1089-7690 JF The Journal of Chemical Physics VO 138 IS 24 LK http://dx.doi.org/https://doi.org/10.1063/1.4811292 DO https://doi.org/10.1063/1.4811292 SF ELIB - SuUB Bremen
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