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Publications by Tavan, Paul

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Number of items: 3.

Journal article

Schwörer, Magnus; Wichmann, Christoph; Tavan, Paul (2016): A polarizable QM/MM approach to the molecular dynamics of amide groups solvated in water. In: Journal of Chemical Physics, Vol. 144, No. 11, 114504

Schwörer, Magnus; Breitenfeld, Benedikt; Tröster, Philipp; Bauer, Sebastian; Lorenzen, Konstantin; Tavan, Paul; 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]

Schmidt, Maximilian; Tavan, Paul (27. March 2012): Electronic excitations in long polyenes revisited. In: The Journal of Chemical Physics, Vol. 136, 124309 [PDF, 944kB]

This list was generated on Wed Dec 11 06:06:42 2019 CET.