Christian F. Schwenk

Characterization of dynamics and reactivities of solvated ions by<i>ab initio</i>simulations

Thomas S. Hofer, Hung Thuan Tran, Christian F. Schwenk et al. · Journal of Computational Chemistry · 2003 · 274 citations

Engineering, Computational Chemistry, Chemistry +17

Ab initio quantum mechanical charge field (QMCF) molecular dynamics: a QM/MM – MD procedure for accurate simulations of ions and complexes

Bernd M. Rode, Thomas S. Hofer, Bernhard R. Randolf et al. · Theoretical Chemistry Accounts · 2005 · 199 citations

Engineering, Physics, Natural Sciences +10

Coordination and ligand exchange dynamics of solvated metal ions

Bernd M. Rode, Christian F. Schwenk, Thomas S. Hofer et al. · Coordination Chemistry Reviews · 2005 · 178 citations

Inorganic Chemistry, Engineering, Coordination Complex +5

Molecular dynamics simulations of Ca2+ in water: Comparison of a classical simulation including three-body corrections and Born–Oppenheimer <i>ab initio</i> and density functional theory quantum mechanical/molecular mechanics simulations

Christian F. Schwenk, Hannes H. Loeffler, Bernd M. Rode · The Journal of Chemical Physics · 2001 · 142 citations

Dft Simulation, Engineering, Computational Chemistry +19

Extended <i>ab initio</i> quantum mechanical/molecular mechanical molecular dynamics simulations of hydrated Cu2+

Christian F. Schwenk, Bernd M. Rode · The Journal of Chemical Physics · 2003 · 100 citations

Engineering, Material Simulation, Computational Chemistry +18