| Benzothiazole-based fluorophores of donor− π-acceptor− π-donor type displaying high two-photon absorption V Hrobáriková, P Hrobárik, P Gajdoš, I Fitilis, M Fakis, P Persephonis, ... The Journal of organic chemistry 75 (9), 3053-3068, 2010 | 192 | 2010 |
| Benzothiazoles with tunable electron-withdrawing strength and reverse polarity: a route to triphenylamine-based chromophores with enhanced two-photon absorption P Hrobárik, V Hrobáriková, I Sigmundová, P Zahradník, M Fakis, I Polyzos, ... The Journal of organic chemistry 76 (21), 8726-8736, 2011 | 168 | 2011 |
| Relativistic Four-Component DFT Calculations of 1H NMR Chemical Shifts in Transition-Metal Hydride Complexes: Unusual High-Field Shifts Beyond the … P Hrobárik, V Hrobáriková, F Meier, M Repisky, S Komorovsky, M Kaupp The Journal of Physical Chemistry A 115 (22), 5654-5659, 2011 | 151 | 2011 |
| Use of 77Se and 125Te NMR Spectroscopy to Probe Covalency of the Actinide-Chalcogen Bonding in [Th(En){N(SiMe3)2}3]− (E = Se, Te; n = 1, 2) and … DE Smiles, G Wu, P Hrobarik, TW Hayton Journal of the American Chemical Society 138 (3), 814-825, 2016 | 149 | 2016 |
| Molecular engineering of benzothiazolium salts with large quadratic hyperpolarizabilities: can auxiliary electron-withdrawing groups enhance nonlinear optical responses? P Hrobarik, I Sigmundova, P Zahradnik, P Kasak, V Arion, E Franz, ... The Journal of Physical Chemistry C 114 (50), 22289-22302, 2010 | 142 | 2010 |
| Density functional calculations of NMR shielding tensors for paramagnetic systems with arbitrary spin multiplicity: Validation on 3d metallocenes P Hrobárik, R Reviakine, AV Arbuznikov, OL Malkina, VG Malkin, ... The Journal of chemical physics 126 (2), 2007 | 140 | 2007 |
| Insight into the mechanism of carbonyl hydrosilylation catalyzed by brookhart’s cationic Iridium (III) pincer complex TT Metsänen, P Hrobárik, HFT Klare, M Kaupp, M Oestreich Journal of the American Chemical Society 136 (19), 6912-6915, 2014 | 118 | 2014 |
| Giant Spin‐Orbit Effects on NMR Shifts in Diamagnetic Actinide Complexes: Guiding the Search of Uranium (VI) Hydride Complexes in the Correct Spectral Range P Hrobárik, V Hrobáriková, AH Greif, M Kaupp Angewandte Chemie International Edition 51 (43), 10884-10888, 2012 | 116 | 2012 |
| Donor–π-acceptor benzothiazole-derived dyes with an extended heteroaryl-containing conjugated system: synthesis, DFT study and antimicrobial activity M Zajac, P Hrobárik, P Magdolen, P Foltínová, P Zahradník Tetrahedron 64 (46), 10605-10618, 2008 | 107 | 2008 |
| A Rare Uranyl(VI)–Alkyl Ate Complex [Li(DME)1.5]2[UO2(CH2SiMe3)4] and Its Comparison with a Homoleptic Uranium(VI)–Hexaalkyl LA Seaman, P Hrobárik, MF Schettini, S Fortier, M Kaupp, TW Hayton Angewandte Chemie International Edition 52 (11), 3259-3263, 2013 | 101 | 2013 |
| Mechanism of the cooperative Si–H bond activation at Ru–S bonds T Stahl, P Hrobárik, CDF Königs, Y Ohki, K Tatsumi, S Kemper, M Kaupp, ... Chemical Science 6 (7), 4324-4334, 2015 | 94 | 2015 |
| The Family of Ferrocene‐Stabilized Silylium Ions: Synthesis, 29Si NMR Characterization, Lewis Acidity, Substituent Scrambling, and Quantum‐Chemical Analyses K Müther, P Hrobárik, V Hrobáriková, M Kaupp, M Oestreich Chemistry–A European Journal 19 (49), 16579-16594, 2013 | 88 | 2013 |
| Four-Component Relativistic Density Functional Theory Calculations of EPR g- and Hyperfine-Coupling Tensors Using Hybrid Functionals: Validation on Transition … S Gohr, P Hrobarik, M Repisky, S Komorovsky, K Ruud, M Kaupp The Journal of Physical Chemistry A 119 (51), 12892-12905, 2015 | 85 | 2015 |
| Jacobsen’s catalyst for hydrolytic kinetic resolution: structure elucidation of paramagnetic Co (III) salen complexes in solution via combined NMR and quantum chemical studies S Kemper, P Hrobárik, M Kaupp, NE Schlörer Journal of the American Chemical Society 131 (12), 4172-4173, 2009 | 81 | 2009 |
| Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts L Rocchigiani, J Fernandez-Cestau, I Chambrier, P Hrobarik, ... Journal of the American Chemical Society 140 (26), 8287-8302, 2018 | 79 | 2018 |
| Quadrupolar benzobisthiazole-cored arylamines as highly efficient two-photon absorbing fluorophores P Hrobárik, V Hrobáriková, V Semak, P Kasák, E Rakovský, I Polyzos, ... Organic letters 16 (24), 6358-6361, 2014 | 70 | 2014 |
| A Relativistic Quantum-Chemical Analysis of the trans Influence on 1H NMR Hydride Shifts in Square-Planar Platinum(II) Complexes AH Greif, P Hrobarik, V Hrobarikova, AV Arbuznikov, J Autschbach, ... Inorganic Chemistry 54 (15), 7199-7208, 2015 | 67 | 2015 |
| Synthesis, Thermochemistry, Bonding, and 13C NMR Chemical Shift Analysis of a Phosphorano-Stabilized Carbene of Thorium DE Smiles, G Wu, P Hrobárik, TW Hayton Organometallics 36 (23), 4519-4524, 2017 | 66 | 2017 |
| Computational design of benzothiazole-derived push–pull dyes with high molecular quadratic hyperpolarizabilities P Hrobarik, P Zahradnik, WMF Fabian Physical Chemistry Chemical Physics 6 (3), 495-502, 2004 | 64 | 2004 |
| Cooperative Al–H bond activation in DIBAL-H: catalytic generation of an alumenium-ion-like Lewis acid for hydrodefluorinative Friedel–Crafts alkylation F Forster, TT Metsänen, E Irran, P Hrobárik, M Oestreich Journal of the American Chemical Society 139 (45), 16334-16342, 2017 | 63 | 2017 |
