Markéta Munzarová

A Critical Validation of Density Functional and Coupled-Cluster Approaches for the Calculation of EPR Hyperfine Coupling Constants in Transition Metal Complexes

Markéta Munzarová, Martin Kaupp · The Journal of Physical Chemistry A · 1999 · 289 citations

Engineering, Theoretical Inorganic Chemistry, Magnetic Resonance +21

Density Functional Calculations of Electronic <i>g</i>-Tensors Using Spin−Orbit Pseudopotentials and Mean-Field All-Electron Spin−Orbit Operators

Olga L. Malkina, Juha Vaara, Bernd Schimmelpfennig et al. · Journal of the American Chemical Society · 2000 · 228 citations

Engineering, Many-body Quantum Physic, Spin Systems +24

Mechanisms of EPR Hyperfine Coupling in Transition Metal Complexes

Markéta Munzarová, Pavel Kubáček, Martin Kaupp · Journal of the American Chemical Society · 2000 · 165 citations

Engineering, Physics, Theoretical Inorganic Chemistry +13

Electron-Rich Three-Center Bonding:  Role of s,p Interactions across the p-Block

Markéta Munzarová, Roald Hoffmann · Journal of the American Chemical Society · 2002 · 77 citations

Engineering, Physics, Electron-rich Three-center Bonding +12

Mechanism of Spin–Orbit Effects on the Ligand NMR Chemical Shift in Transition-Metal Complexes: Linking NMR to EPR

Michal Straka, Markéta Munzarová, Radek Marek · Journal of Chemical Theory and Computation · 2014 · 69 citations

Engineering, Theoretical Inorganic Chemistry, Magnetic Resonance +19