J. Dočkal

发表

Molecular dynamics of the interfacial solution structure of alkali-halide electrolytes at graphene electrodes

M. Lísal, F. Moučka, J. Dočkal, 2022, Journal of Molecular Liquids.

Molecular dynamics of preferential adsorption in mixed alkali-halide electrolytes at graphene electrodes.

M. Lísal, F. Moučka, J. Dočkal, 2022, The Journal of chemical physics.

Molecular dynamics simulation study of the effect of a strong electric field on the structure of a poly(oxyethylene) chain in explicit solvents

F. Moučka, J. Jirsák, J. Dočkal, 2021 .

Synthesis of Deoxy, Dideoxy and Didehydrodideoxy Analogues of 9-(β -D-Hexofuranosyl)adenine.

A. Holý, H. Hřebabecký, J. Dočkal, 1994 .

Synthesis of Deoxy, Dideoxy and Didehydrodideoxy Analogs of 9-(β-D-Hexofuranosyl)adenine

A. Holý, H. Hřebabecký, J. Dočkal, 1994 .

Polarizable Force Fields for Accurate Molecular Simulations of Aqueous Solutions of Electrolytes, Crystalline Salts, and Solubility: Li+, Na+, K+, Rb+, F-, Cl-, Br-, I-

M. Lísal, F. Moučka, J. Dočkal, 2022, Journal of Molecular Liquids.

Molecular Dynamics of Graphene–Electrolyte Interface: Interfacial Solution Structure and Molecular Diffusion

M. Lísal, F. Moučka, J. Dočkal, 2019, The Journal of Physical Chemistry C.

A general hydrogen bonding definition based on three-dimensional spatial distribution functions and its extension to quantitative structural analysis of solutions and general intermolecular bonds

M. Lísal, M. Svoboda, F. Moučka, 2019, Journal of Molecular Liquids.

Molecular Force Field Development for Aqueous Electrolytes: 2. Polarizable Models Incorporating Crystalline Chemical Potential, and their Accurate Simulations of Halite, Hydrohalite, Aqueous Solutions of NaCl, and Solubility.

M. Lísal, F. Moučka, J. Dočkal, 2020, Journal of chemical theory and computation.

Structure of aqueous alkali metal halide electrolyte solutions from molecular simulations of phase-transferable polarizable models

J. Dočkal, Filip Moučka, Martin Lísal, 2023, Journal of Molecular Liquids.