 | 2011 |
| 8 |  | Syed Tarique Moin,
Thomas S. Hofer,
Bernhard R. Randolf,
Bernd M. Rode:
Structure and dynamics of methanol in water: A quantum mechanical charge field molecular dynamics study.
Journal of Computational Chemistry 32(5): 886-892 (2011) |
| 2010 |
| 7 |  | S. Sikander Azam,
Len Herald V. Lim,
Thomas S. Hofer,
Bernhard R. Randolf,
Bernd M. Rode:
Hydrated germanium (II): Irregular structural and dynamical properties revealed by a quantum mechanical charge field molecular dynamics study.
Journal of Computational Chemistry 31(2): 278-285 (2010) |
| 2008 |
| 6 |  | Andreas B. Pribil,
Thomas S. Hofer,
Bernhard R. Randolf,
Bernd M. Rode:
Structure and dynamics of phosphate ion in aqueous solution: An ab initio QMCF MD study.
Journal of Computational Chemistry 29(14): 2330-2334 (2008) |
| 2007 |
| 5 |  | M. Qaiser Fatmi,
Thomas S. Hofer,
Bernhard R. Randolf,
Bernd M. Rode:
Quantum mechanical charge field molecular dynamics simulation of the TiO2+ ion in aqueous solution.
Journal of Computational Chemistry 28(10): 1704-1710 (2007) |
| 4 |  | Viwat Vchirawongkwin,
Thomas S. Hofer,
Bernhard R. Randolf,
Bernd M. Rode:
Tl(I)-the strongest structure-breaking metal ion in water? A quantum mechanical/molecular mechanical simulation study.
Journal of Computational Chemistry 28(6): 1006-1016 (2007) |
| 3 |  | Viwat Vchirawongkwin,
Thomas S. Hofer,
Bernhard R. Randolf,
Bernd M. Rode:
Quantum mechanical/molecular mechanical simulations of the Tl(III) ion in water.
Journal of Computational Chemistry 28(6): 1057-1067 (2007) |
| 2005 |
| 2 |  | Thomas S. Hofer,
Bernhard R. Randolf,
Bernd M. Rode:
Structure-breaking effects of solvated Rb(I) in dilute aqueous solution - An ab initio QM/MM MD approach.
Journal of Computational Chemistry 26(9): 949-956 (2005) |
| 2004 |
| 1 |  | Thomas S. Hofer,
Hung T. Tran,
Christian F. Schwenk,
Bernd M. Rode:
Characterization of dynamics and reactivities of solvated ions by ab initio simulations.
Journal of Computational Chemistry 25(2): 211-217 (2004) |