2008 |
5 | EE | 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 |
4 | EE | 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) |
3 | EE | 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) |
2 | EE | 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 |
1 | EE | 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) |