Szilvia Pothoczki

8PUBLICATIONS
4CO-AUTHORS
Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Chemical thermodynamics and energeticsTheoretical quantum chemistryBiomolecular modelling and designMolecular imaging (incl. electron microscopy and neutron diffraction)
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Publications (8)

|Sep 26, 2026
Unraveling the Complex Hydrogen-Bonding and Solvation Patterns of Fructose Tautomers via Complementary AIMD and Classical MD Simulations.

|Apr 26, 2025
Can We Unambiguously Define the Dipole Moment of Molecules in the Condensed Phase?

Imre Bakó, Szilvia Pothoczki

|May 25, 2024
Systematic Study of Different Types of Interactions in α-, β- and γ-Cyclodextrin: Quantum Chemical Investigation.

Imre Bakó, László Jicsinszky, Szilvia Pothoczki

|May 13, 2024
Outstanding Properties of the Hydration Shell around β-d-Glucose: A Computational Study.

Imre Bakó, László Pusztai, Szilvia Pothoczki

|Mar 30, 2023
Connecting Diffraction Experiments and Network Analysis Tools for the Study of Hydrogen-Bonded Networks.

Imre Bakó, Szilvia Pothoczki, László Pusztai

|Jun 03, 2021
Properties of Hydrogen-Bonded Networks in Ethanol-Water Liquid Mixtures as a Function of Temperature: Diffraction Experiments and Computer Simulations.

Szilvia Pothoczki, Ildikó Pethes, László Pusztai

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Frequent Collaborators

4 joint publications

Imre Bakó

1 joint publications

Ildikó Pethes

1 joint publications

Koji Ohara

1 joint publications

László Jicsinszky