Bernd M. Rode

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

Born−Oppenheimer ab Initio QM/MM Dynamics Simulations of Na⁺and K⁺in Water:  From Structure Making to Structure Breaking Effects

Anan Tongraar, Klaus R. Liedl, Bernd M. Rode · The Journal of Physical Chemistry A · 1998 · 220 citations

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

A QM/MM simulation method applied to the solution of Li+ in liquid ammonia

Teerakiat Kerdcharoen, Klaus R. Liedl, Bernd M. Rode · Chemical Physics · 1996 · 191 citations

Chemical Engineering, Engineering, Transport Phenomena +6

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