Publikace
- Estimation of Transition-Metal Empirical Parameters for Molecular Mechanical Force Fields2016 | Matematicko-fyzikální fakulta
- Reaction Mechanism of Ru(II) Piano-Stool Complexes: Umbrella Sampling QM/MM MD Study2014 | Matematicko-fyzikální fakulta
- Comparison of hydration reactions for "piano-stool" RAPTA-B and [Ru(eta(6) - arene)(en)Cl](+) complexes: Density functional theory computational study2011 | Matematicko-fyzikální fakulta
- A double-QM/MM method for investigating donor-acceptor electron-transfer reactions in solution2014 | Matematicko-fyzikální fakulta
- Binding of piano-stool Ru(II) complexes to DNA; QM/MM study2012 | Matematicko-fyzikální fakulta
- Exploring a Reaction Mechanism for Acetato Ligand Replacement in Paddlewheel Tetrakisacetatodirhodium (II,II) Complex by Ammonia: Computational Density Functional Theory Study2011 | Matematicko-fyzikální fakulta
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