Mgr. Jan Novotný, Ph.D.

2024

• The impact of ortho-substituents on Bonding in Silver(I) and Halogen(I) complexes of 2-Mono- and 2,6-Disubstituted Pyridines: An In-depth Experimental and Theoretical Study

  PARVEEN Kumar MIKKO Rautiainen NOVOTNÝ Jan JAS S. Ward MAREK Radek KARI Rissanen RAKESH Puttreddy

  Article in Periodical

  Chemistry - A European Journal, year: 2024, volume: 30, edition: 13, DOI

2023

• Catalytic Mechanism of Formate Dehydrogenase: Computational Studies

  KOZELKA Jiří YURENKO Yevgen NOVOTNÝ Jan MAREK Radek

  Conference abstract

  Year: 2023, type: Conference abstract

• Flipping hosts in hyperfine fields of paramagnetic guests

  NOVOTNÝ Jan CHYBA Jan HRUZÍKOVÁ Anna PIKULOVÁ Petra KURSIT Aliaksandra KNOR Michal MARKOVÁ Kateřina MAREK Jaromír JURČEK Pia Yasmine JURČEK Ondřej MAREK Radek

  Article in Periodical

  Cell Reports Physical Science, year: 2023, volume: 4, edition: 7, DOI

• Nature of NMR Shifts in Paramagnetic Octahedral Ru(III) Complexes with Axial Pyridine-Based Ligands

  CHYBA Jan HRUZÍKOVÁ Anna KNOR Michal PIKULOVÁ Petra MARKOVÁ Kateřina NOVOTNÝ Jan MAREK Radek

  Article in Periodical

  Inorganic Chemistry, year: 2023, volume: 62, edition: 8, DOI

• Quadratic Spin–Orbit Mechanism of the Electronic g-Tensor

  PIKULOVÁ Petra MISENKOVA Debora MAREK Radek KOMOROVSKY Stanislav NOVOTNÝ Jan

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2023, volume: 19, edition: 6, DOI

2022

• 35th NMR Valtice

  NOVOTNÝ Jan MAREK Radek

  Conference

  Year: 2022, type: Conference

• Calculations of paramagnetic NMR chemical shifts in supramolecular host-guest systems of Ru(III) complexes

  PIKULOVÁ Petra JURČEK Pia Yasmine CHYBA Jan KNOR Michal HRUZÍKOVÁ Anna NOVOTNÝ Jan MAREK Radek

  Conference abstract

  Year: 2022, type: Conference abstract

• Hyperfine chemical shift in host-guest systems of Ru(III) with macrocycles

  PIKULOVÁ Petra JURČEK Pia Yasmine CHYBA Jan KNOR Michal HRUZÍKOVÁ Anna NOVOTNÝ Jan MAREK Radek

  Conference abstract

  Year: 2022, type: Conference abstract

• Relativistic Spin–Orbit Electronegativity and the Chemical Bond Between a Heavy Atom and a Light Atom

  CUYACOT Ben Joseph Rubiato NOVOTNÝ Jan BERGER Raphael J. F. KOMOROVSKY Stanislav MAREK Radek

  Article in Periodical

  Chemistry - A European Journal, year: 2022, volume: 28, edition: 24, DOI

2021

• Crystal and Substituent Effects on Paramagnetic NMR Shifts in Transition-Metal Complexes

  NOVOTNÝ Jan JEREMIAS Lukáš NIMAX Patrick René KOMOROVSKY Stanislav HEINMAA Ivo MAREK Radek

  Article in Periodical

  Inorganic Chemistry, year: 2021, volume: 60, edition: 13, DOI