Thomas Nevolianis

5PUBLICATIONS
44CO-AUTHORS
Computational chemistryToxicology (incl. clinical toxicology)Reaction kinetics and dynamicsRadiation and matter
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Publications (5)

|Aug 14, 2025
Solvation Free Energies of Anions: From Curated Reference Data to Predictive Models.

Thomas Nevolianis, Jonathan W Zheng, Simon Müller

|Nov 21, 2023
Blind prediction of toluene/water partition coefficients using COSMO-RS: results from the SAMPL9 challenge.

Thomas Nevolianis, Raja A Ahmed, Arnim Hellweg

|Aug 23, 2023
The first HyDRA challenge for computational vibrational spectroscopy.

Taija L Fischer, Margarethe Bödecker, Sophie M Schweer

|Apr 03, 2023
A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes.

Lukas Krep, Felix Schmalz, Florian Solbach

|Dec 13, 2022
A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes.

Lukas Krep, Felix Schmalz, Florian Solbach

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