Mariusz Radoń

8PUBLICATIONS
11CO-AUTHORS
Metal organic frameworksTheoretical quantum chemistryCondensed matter modelling and density functional theoryCatalysis and mechanisms of reactions
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Publications (8)

|Sep 01, 2026
Optical and Magnetic Properties of Yellow Chromophore S2•- in Ultramarine Pigments: CASPT2 and DFT Studies.

|Nov 07, 2025
Mechanistic and thermodynamic insights into binding and activation of small molecules on metallozeolites - relevance for adsorption and catalysis.

Filip Zasada, Piotr Pietrzyk, Mariusz Radoń

|Jun 20, 2024
Predicting spin states of iron porphyrins with DFT methods including crystal packing effects and thermodynamic corrections.

Mariusz Radoń

|Apr 04, 2024
Approaching the Complete Basis Set Limit for Spin-State Energetics of Mononuclear First-Row Transition Metal Complexes.

Gabriela Drabik, Mariusz Radoń

|Nov 08, 2023
Benchmarks for transition metal spin-state energetics: why and how to employ experimental reference data?

Mariusz Radoń

|Sep 03, 2021
Experimental and Computational Insight into the Mechanism of NO Binding to Ferric Microperoxidase. The Likely Role of Tautomerization to Account for the pH Dependence.

Maria Oszajca, Gabriela Drabik, Mariusz Radoń

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Frequent Collaborators

2 joint publications

Piotr Pietrzyk

1 joint publications

Ewa Broclawik

1 joint publications

Paweł Kozyra

1 joint publications

Maria Oszajca