Publications by authors named "David Vrska"

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Solvation strategies for free-energy calculations in a halogen-bonded complex: implicit, explicit, and machine learning approaches.
Jaroslav Vacek, Dávid Vrška, Debashree Manna, Rabindranath Lo, Pavel Hobza

Chem Sci· December 2025

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DFT Modeling of Polyethylene Chains Cross-linked by Selected s and s Metal Atoms.
Dávid Vrška, Miroslav Urban, Pavel Neogrády, Jiří Pittner, Martin Blaško

J Phys Chem A· September 2024

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Thermodynamics of the gas-phase dimerization of formic acid: Fully anharmonic finite temperature calculations at the CCSD(T) and many DFT levels.
Dávid Vrška, Michal Pitoňák, Tomáš Bučko

J Chem Phys· May 2024

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