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

Chemical reviews, 2020-08, Vol.120 (15), p.7065-7103

2020

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Analysis of objective eye tracking data used for vehicle assessment

Acta Polytechnica CTU proceedings, 2023-09, Vol.41, p.44-48

Novotný, Jan

2023

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Mechanisms of Ligand Hyperfine Coupling in Transition-Metal Complexes: σ and π Transmission Pathways

Inorganic chemistry, 2024-05, Vol.63 (19), p.8580-8592

2024

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Emotion regulation shows an age- and sex-specific moderating effect on the relationship between chronic stress and cognitive performance

Scientific reports, 2024-02, Vol.14 (1), p.3028-3028, Article 3028

2024

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Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations

Journal of the American Chemical Society, 2016-07, Vol.138 (27), p.8432-8445

2016

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General relativistic polytropes with a repulsive cosmological constant

Physical review. D, 2016-11, Vol.94 (10), Article 103513

2016

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

Journal of chemical theory and computation, 2017-08, Vol.13 (8), p.3586-3601

2017

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Quadratic Spin–Orbit Mechanism of the Electronic g‑Tensor

Journal of chemical theory and computation, 2023-03, Vol.19 (6), p.1765-1776

2023

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

Inorganic chemistry, 2021-07, Vol.60 (13), p.9368-9377

2021

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Through-Space Paramagnetic NMR Effects in Host–Guest Complexes: Potential Ruthenium(III) Metallodrugs with Macrocyclic Carriers

Inorganic chemistry, 2018-08, Vol.57 (15), p.8735-8747

2018

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

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (38), p.24944-24955

2015

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Polytropic spheres containing regions of trapped null geodesics

Physical review. D, 2017-02, Vol.95 (4), Article 043009

2017

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Lone-pair-π interactions: analysis of the physical origin and biological implications

Physical chemistry chemical physics : PCCP, 2016-07, Vol.18 (28), p.19472-19481

2016

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Interplay of Through-Bond Hyperfine and Substituent Effects on the NMR Chemical Shifts in Ru(III) Complexes

Inorganic chemistry, 2018-08, Vol.57 (15), p.8748-8759

2018

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

Inorganic chemistry, 2023-02, Vol.62 (8), p.3381-3394

2023

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Electron-Spin Structure and Metal–Ligand Bonding in Open-Shell Systems from Relativistic EPR and NMR: A Case Study of Square-Planar Iridium Catalysts

Journal of chemical theory and computation, 2019-01, Vol.15 (1), p.201-214

2019

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Accelerating Dedispersion Using Many-core Architectures

The Astrophysical journal. Supplement series, 2023-11, Vol.269 (1), p.29

2023

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Polytropic spheres modelling dark matter haloes of dwarf galaxies

Astronomy and astrophysics (Berlin), 2021-03, Vol.647, p.A29

2021

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Zwitterionic Ru(III) Complexes: Stability of Metal–Ligand Bond and Host–Guest Binding with Cucurbit[7]uril

Inorganic chemistry, 2020-07, Vol.59 (14), p.10185-10196

2020

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Feasibility of Nanoparticle-Enhanced Laser Ablation Inductively Coupled Plasma Mass Spectrometry

Analytical chemistry (Washington), 2018-10, Vol.90 (20), p.11820-11826

2018

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Hyperfine Effects in Ligand NMR: Paramagnetic Ru(III) Complexes with 3‑Substituted Pyridines

Inorganic chemistry, 2018-01, Vol.57 (2), p.641-652

2018

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Revealing structural peculiarities of homopurine GA repetition stuck by i-motif clip

Nucleic acids research, 2021-11, Vol.49 (20), p.11425

2021

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Exploring non-covalent interactions in guanine- and xanthine-based model DNA quadruplex structures: a comprehensive quantum chemical approach

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (5), p.2072-2084

2014

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Effects of laser and scanning parameters on surface modification of MONEL® alloy 400 by picosecond laser

Optics and laser technology, 2024-05, Vol.172, p.110514, Article 110514

2024

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Supramolecular Coronation of Platinum(II) Complexes by Macrocycles: Structure, Relativistic DFT Calculations, and Biological Effects

Inorganic chemistry, 2021-12, Vol.60 (23), p.17911-17925

2021

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

Analysis of objective eye tracking data used for vehicle assessment

Mechanisms of Ligand Hyperfine Coupling in Transition-Metal Complexes: σ and π Transmission Pathways

Emotion regulation shows an age- and sex-specific moderating effect on the relationship between chronic stress and cognitive performance

Interpreting the Paramagnetic NMR Spectra of Potential Ru(III) Metallodrugs: Synergy between Experiment and Relativistic DFT Calculations

General relativistic polytropes with a repulsive cosmological constant

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

Quadratic Spin–Orbit Mechanism of the Electronic g‑Tensor

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

Through-Space Paramagnetic NMR Effects in Host–Guest Complexes: Potential Ruthenium(III) Metallodrugs with Macrocyclic Carriers

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

Polytropic spheres containing regions of trapped null geodesics

Lone-pair-π interactions: analysis of the physical origin and biological implications

Interplay of Through-Bond Hyperfine and Substituent Effects on the NMR Chemical Shifts in Ru(III) Complexes

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

Electron-Spin Structure and Metal–Ligand Bonding in Open-Shell Systems from Relativistic EPR and NMR: A Case Study of Square-Planar Iridium Catalysts

Accelerating Dedispersion Using Many-core Architectures

Polytropic spheres modelling dark matter haloes of dwarf galaxies

Zwitterionic Ru(III) Complexes: Stability of Metal–Ligand Bond and Host–Guest Binding with Cucurbit[7]uril

Feasibility of Nanoparticle-Enhanced Laser Ablation Inductively Coupled Plasma Mass Spectrometry

Hyperfine Effects in Ligand NMR: Paramagnetic Ru(III) Complexes with 3‑Substituted Pyridines

Revealing structural peculiarities of homopurine GA repetition stuck by i-motif clip

Exploring non-covalent interactions in guanine- and xanthine-based model DNA quadruplex structures: a comprehensive quantum chemical approach

Effects of laser and scanning parameters on surface modification of MONEL® alloy 400 by picosecond laser

Supramolecular Coronation of Platinum(II) Complexes by Macrocycles: Structure, Relativistic DFT Calculations, and Biological Effects

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