- Exploration of various electronic properties along the reaction coordinate for hydration of Pt(II) and Ru(II) complexes; the CCSD, MPx, and DFT computational study2013 | Matematicko-fyzikální fakulta
- The Influence of the Metal Cations and Microhydration on the Reaction Trajectory of the N3 <-> O2 Thymine Proton Transfer: Quantum Mechanical Study2017 | Matematicko-fyzikální fakulta
- Interactions of the "piano-stool" [ruthenium(II)((6)-arene)(quinolone)Cl](+) complexes with water; DFT computational study2016 | Matematicko-fyzikální fakulta
- Reactions of cisplatin and glycine in solution with constant pH: a computational study2012 | Matematicko-fyzikální fakulta
- Charge-induced chemical dynamics in glycine probed with time-resolved Auger electron spectroscopy2022 | Matematicko-fyzikální fakulta
- Formation of chelate structure between His-Met dipeptide and diaqua-cisplatin complex; DFT/PCM computational study2018 | Matematicko-fyzikální fakulta
- QM and QM/MM umbrella sampling MD study of the formation of Hg(II)-thymine bond: Model for evaluation of the reaction energy profiles in solutions with constant pH2020 | Matematicko-fyzikální fakulta
- Interactions of Ascorbic Acid with Satraplatin and its trans Analog JM576: DFT Computational Study2018 | Matematicko-fyzikální fakulta
- Predicting Effects of Site-Directed Mutagenesis on Enzyme Kinetics by QM/MM and QM Calculations: A Case of Glutamate Carboxypeptidase II2022 | Přírodovědecká fakulta, Ústřední knihovna