Marius Retegan
marius.retegan.org
0000-0002-1525-1094
European Synchrotron Radiation Facility
26 papers found
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Redox-Responsive Porphyrin-Based Molecular Tweezers
Electrochemical formation of bi- versus tetranuclear μ-oxo terpyridine manganese complexes in CH3CN. Influence of the terpyridine substituents
MESP: An efficient method to validate an ONIOM partition for the modelization of phosphine ligands commonly used in the Pauson–Khand reaction
Free energy calculations using dual-level Born–Oppenheimer molecular dynamics
Comparative Theoretical Studies of the Phosphomonoester Hydrolysis Mechanism by Purple Acid Phosphatases
Exploring the Binding of Inhibitors Derived from Tetrabromobenzimidazole to the CK2 Protein Using a QM/MM-PB/SA Approach
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