Jan Dočkal

Jan Dočkal

Jan Evangelista Purkyně University in Þšstí nad Labem - Ústí nad Labem / Czech Republic
Natural Sciences / Molecular Biology & Genetics
AD Scientific Index ID: 4954071
Univerzita Jana Evangelisty Purkyně v Ústí nad Labem
person_outline Jan Dočkal's MOST POPULAR ARTICLES
1-) Molecular dynamics of graphene–electrolyte interface: Interfacial solution structure and molecular diffusionJ Dočkal, F Moučka, M LísalThe Journal of Physical Chemistry C 123 (43), 26379-26396, 2019312019
2-) Molecular force field development for aqueous electrolytes: 2. Polarizable models incorporating crystalline chemical potential and their accurate simulations of halite …J Dockal, M Lísal, F MouckaJournal of Chemical Theory and Computation 16 (6), 3677-3688, 2020182020
3-) A general hydrogen bonding definition based on three-dimensional spatial distribution functions and its extension to quantitative structural analysis of solutions and general …J Dočkal, M Svoboda, M Lísal, F MoučkaJournal of Molecular Liquids 281, 225-235, 2019172019
4-) Molecular dynamics of the interfacial solution structure of alkali-halide electrolytes at graphene electrodesJ Dočkal, M Lísal, F MoučkaJournal of Molecular Liquids 353, 118776, 2022132022
5-) Polarizable force fields for accurate molecular simulations of aqueous solutions of electrolytes, crystalline salts, and solubility: Li+, Na+, K+, Rb+, F−, Cl−, Br−, I−J Dočkal, M Lísal, F MoučkaJournal of Molecular Liquids 362, 119659, 202292022