doc. Mgr. Michal Straka, Ph.D.

2020

• Relativistic Heavy-Neighbor-Atom Effects on NMR Shifts: Concepts and Trends Across the Periodic Table

  VÍCHA Jan NOVOTNÝ Jan KOMOROVSKY Stanislav STRAKA Michal KAUPP Martin MAREK Radek

  Article in Periodical

  Chemical Reviews, year: 2020, volume: 120, edition: 15, DOI

2018

• How Does a Container Affect Acidity of its Content? Charge-Depletion Bonding Inside Fullerenes

  JAROŠ Adam BADRI Zahra BORA Pankaj Lochan FARAJPOUR BONAB Esmaeil MAREK Radek STRAKA Michal FOROUTANNEJAD Cina

  Article in Periodical

  Chemistry - A European Journal, year: 2018, volume: 24, edition: 17, DOI

2017

• Linking the Character of the Metal-Ligand Bond to the Ligand NMR Shielding in Transition-Metal Complexes: NMR Contributions from Spin-Orbit Coupling

  NOVOTNÝ Jan VÍCHA Jan BORA Pankaj Lochan REPISKY Michal STRAKA Michal KOMOROVSKY Stanislav MAREK Radek

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2017, volume: 13, edition: 8, DOI

2016

• High-Frequency C-13 and Si-29 NMR Chemical Shifts in Diamagnetic Low-Valence Compounds of TI-I and Pb-II: Decisive Role of Relativistic Effects

  VÍCHA Jan MAREK Radek STRAKA Michal

  Article in Periodical

  Inorganic Chemistry, year: 2016, volume: 55, edition: 4, DOI

• High-Frequency H-1 NMR Chemical Shifts of Sn-II and Pb-II Hydrides Induced by Relativistic Effects: Quest for Pb-II Hydrides

  VÍCHA Jan MAREK Radek STRAKA Michal

  Article in Periodical

  Inorganic Chemistry, year: 2016, volume: 55, edition: 20, DOI

2015

• Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approaches

  VÍCHA Jan NOVOTNÝ Jan STRAKA Michal REPISKY Michal RUUD Kenneth KOMOROVSKY Stanislav MAREK Radek

  Article in Periodical

  Physical Chemistry Chemical Physics, year: 2015, volume: 17, edition: 38, DOI

• Understanding the electronic factors responsible for ligand spin-orbit NMR shielding in transition-metal complexes

  VÍCHA Jan FOROUTANNEJAD Cina PAWLAK Tomasz MUNZAROVÁ Markéta STRAKA Michal MAREK Radek

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2015, volume: 11, edition: 4, DOI

• Unwilling U-U bonding in U2@C80: cage-driven metal-metal bonds in di-uranium fullerenes

  FOROUTANNEJAD Cina VÍCHA Jan MAREK Radek PATZSCHKE Michael STRAKA Michal

  Article in Periodical

  Physical Chemistry Chemical Physics, year: 2015, volume: 17, edition: 37, DOI

2014

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

  VÍCHA Jan STRAKA Michal MUNZAROVÁ Markéta MAREK Radek

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2014, volume: 10, edition: 4, DOI

2013

• 129Xe NMR chemical shift in Xe@C60 calculated at experimental conditions: Essential role of the relativity, dynamics, and explicit solvent

  STANDARA Stanislav KULHÁNEK Petr MAREK Radek STRAKA Michal

  Article in Periodical

  Journal of Computational Chemistry, year: 2013, volume: 34, edition: 22, DOI