Group leader
Pavel Hobza
Contacts
Recent papers
Spin modification of iron(ii) complexes via covalent (dative) and dispersion guided non-covalent bonding with N-heterocyclic carbenes: DFT, DLPNO-CCSD(T) and MCSCF studies
Dalton Transactions 49 (1): 164-170 (2020).
Mutations at hypothetical binding site 2 in insulin and insulin-like growth factors 1 and 2 result in receptor- and hormone-specific responses
Journal of Biological Chemistry 294 (46): 17371-17382 (2019).
Spin Crossover in Iron(II) Porphyrazine Induced by Noncovalent Interactions Combined with Hybridization of Iron(II) Porphyrazine and Ligand′s Orbitals: CASPT2, CCSD(T), and DFT Studies
Journal of Physical Chemistry C 123 (37): 23186-23194 (2019).
Nature of Binding in Planar Halogen–Benzene Assemblies and Their Possible Visualization in Scanning Probe Microscopy
Journal of Physical Chemistry C 123 (13): 8379-8386 (2019).