Showing results (11-20 of 28) with videos related to
Sort By:
Pageof 3
The Journal of Physical Chemistry. A|October 24, 2008
Binding of CO, NO, and O2 to heme by density functional and multireference ab initio calculationsMariusz Radoń, Kristine PierlootThe Journal of Physical Chemistry. B|January 6, 2010
Electronic structure of selected FeNO7 complexes in heme and non-heme architectures: a density functional and multireference ab initio studyMariusz Radoń, Ewa Broclawik, Kristine PierlootJournal of Inorganic Biochemistry|February 6, 2014
Nitric oxide as a non-innocent ligand in (bio-)inorganic complexes: spin and electron transfer in Fe(II)-NO bondEwa Broclawik, Adam Stępniewski, Mariusz RadońThe Journal of Physical Chemistry. A|February 10, 2016
Mechanism of O2 Activation by α-Ketoglutarate Dependent Oxygenases Revisited. A Quantum Chemical StudyAnna Wójcik, Mariusz Radoń, Tomasz BorowskiPhysical Chemistry Chemical Physics : PCCP|December 14, 2020
Spin-state energetics of metallocenes: How do best wave function and density functional theory results compare with the experimental data?Gabriela Drabik, Janusz Szklarzewicz, Mariusz RadońJournal of Chemical Theory and Computation|November 27, 2015
Conformational Stability and Spin States of Cobalt(II) Acetylacetonate: CASPT2 and DFT StudyMariusz Radoń, Monika Srebro, Ewa BroclawikJournal of Chemical Theory and Computation|November 26, 2015
DFT and Ab Initio Study of Iron-Oxo Porphyrins: May They Have a Low-Lying Iron(V)-Oxo Electromer?Mariusz Radoń, Ewa Broclawik, Kristine PierlootJournal of Chemical Theory and Computation|December 1, 2015
Performance of CASPT2 and DFT for Relative Spin-State Energetics of Heme ModelsSteven Vancoillie, Hailiang Zhao, Mariusz Radoń, et al.Journal of Chemical Theory and Computation|March 19, 2016
Spin-State Energetics of Fe(III) and Ru(III) Aqua Complexes: Accurate ab Initio Calculations and Evidence for Huge Solvation EffectsMariusz Radoń, Katarzyna Gąssowska, Janusz Szklarzewicz, et al.Chemical Society Reviews|November 7, 2025
Mechanistic and thermodynamic insights into binding and activation of small molecules on metallozeolites - relevance for adsorption and catalysisFilip Zasada, Piotr Pietrzyk, Mariusz Radoń, et al.Pageof 3