Coupling density functional theory to polarizable force fields for efficient and accurate Hamiltonian molecular dynamics simulations
Crossref DOI link: https://doi.org/10.1063/1.4811292
Published Online: 2013-06-25
Published Print: 2013-06-28
Update policy: https://doi.org/10.1063/aip-crossmark-policy-page
Schwörer, Magnus
Breitenfeld, Benedikt
Tröster, Philipp
Bauer, Sebastian
Lorenzen, Konstantin
Tavan, Paul
Mathias, Gerald