Relativistic Heavy-Neighbor-Atom Effects on NMR Shifts: Concepts and Trends Across the Periodic Table
Vı́cha, Jan, Novotný, Jan, Komorovsky, Stanislav, Straka, Michal, Kaupp, Martin, Marek, Radek
Published in Chemical reviews (12.08.2020)
Published in Chemical reviews (12.08.2020)
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Journal Article
Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations
Novotný, Jan, Sojka, Martin, Komorovsky, Stanislav, Nečas, Marek, Marek, Radek
Published in Journal of the American Chemical Society (13.07.2016)
Published in Journal of the American Chemical Society (13.07.2016)
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Journal Article
Lone-pair-π interactions: analysis of the physical origin and biological implications
Novotný, Jan, Bazzi, Sophia, Marek, Radek, Kozelka, Jiří
Published in Physical chemistry chemical physics : PCCP (28.07.2016)
Published in Physical chemistry chemical physics : PCCP (28.07.2016)
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Journal Article
Quadratic Spin–Orbit Mechanism of the Electronic g‑Tensor
Pikulová, Petra, Misenkova, Debora, Marek, Radek, Komorovsky, Stanislav, Novotný, Jan
Published in Journal of chemical theory and computation (28.03.2023)
Published in Journal of chemical theory and computation (28.03.2023)
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Journal Article
Crystal and Substituent Effects on Paramagnetic NMR Shifts in Transition-Metal Complexes
Novotný, Jan, Jeremias, Lukáš, Nimax, Patrick, Komorovsky, Stanislav, Heinmaa, Ivo, Marek, Radek
Published in Inorganic chemistry (05.07.2021)
Published in Inorganic chemistry (05.07.2021)
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Journal Article
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 L, Repisky, Michal, Straka, Michal, Komorovsky, Stanislav, Marek, Radek
Published in Journal of chemical theory and computation (08.08.2017)
Published in Journal of chemical theory and computation (08.08.2017)
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Journal Article
Gravitational instability of polytropic spheres containing region of trapped null geodesics: a possible explanation of central supermassive black holes in galactic halos
Stuchlík, Zdeněk, Schee, Jan, Toshmatov, Bobir, Hladík, Jan, Novotný, Jan
Published in Journal of cosmology and astroparticle physics (27.06.2017)
Published in Journal of cosmology and astroparticle physics (27.06.2017)
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Journal Article
Polytropic spheres modelling dark matter haloes of dwarf galaxies
Novotný, Jan, Stuchlík, Zdeněk, Hladík, Jan
Published in Astronomy and astrophysics (Berlin) (01.03.2021)
Published in Astronomy and astrophysics (Berlin) (01.03.2021)
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Journal Article
Electron-Spin Structure and Metal–Ligand Bonding in Open-Shell Systems from Relativistic EPR and NMR: A Case Study of Square-Planar Iridium Catalysts
Bora, Pankaj L, Novotný, Jan, Ruud, Kenneth, Komorovsky, Stanislav, Marek, Radek
Published in Journal of chemical theory and computation (08.01.2019)
Published in Journal of chemical theory and computation (08.01.2019)
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Journal Article
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
Published in Physical chemistry chemical physics : PCCP (01.01.2015)
Published in Physical chemistry chemical physics : PCCP (01.01.2015)
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Journal Article
Accelerating Dedispersion Using Many-core Architectures
Novotný, Jan, Adámek, Karel, Clark, M. A., Giles, Mike, Armour, Wes
Published in The Astrophysical journal. Supplement series (01.11.2023)
Published in The Astrophysical journal. Supplement series (01.11.2023)
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Journal Article
Hyperfine Effects in Ligand NMR: Paramagnetic Ru(III) Complexes with 3‑Substituted Pyridines
Novotný, Jan, Přichystal, David, Sojka, Martin, Komorovsky, Stanislav, Nečas, Marek, Marek, Radek
Published in Inorganic chemistry (16.01.2018)
Published in Inorganic chemistry (16.01.2018)
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Journal Article