Ion Pairing in Cationic Au(I)(μ‐H)2WCp2 Bimetallic Dihydrides
Landrini, Martina, De Paolis, Elena, Macchioni, Alceo, Tensi, Leonardo, Hrobárik, Peter, Rocchigiani, Luca
Published in European journal of inorganic chemistry (19.10.2022)
Published in European journal of inorganic chemistry (19.10.2022)
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Journal Article
Giant Spin-Orbit Effects on NMR Shifts in Diamagnetic Actinide Complexes: Guiding the Search of Uranium(VI) Hydride Complexes in the Correct Spectral Range
Hrobárik, Peter, Hrobáriková, Veronika, Greif, Anja H., Kaupp, Martin
Published in Angewandte Chemie International Edition (22.10.2012)
Published in Angewandte Chemie International Edition (22.10.2012)
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Journal Article
Giant spin-orbit effects on 1H and 13C NMR shifts for uranium(vi) complexes revisited: role of the exchange-correlation response kernel, bonding analyses, and new predictions
Greif, Anja H, Hrobárik, Peter, Autschbach, Jochen, Kaupp, Martin
Published in Physical chemistry chemical physics : PCCP (09.11.2016)
Published in Physical chemistry chemical physics : PCCP (09.11.2016)
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Journal Article
A free boratriptycene-type Lewis superacid
Henkelmann, Marcel, Omlor, Andreas, Bolte, Michael, Schünemann, Volker, Lerner, Hans-Wolfram, Noga, Jozef, Hrobárik, Peter, Wagner, Matthias
Published in Chemical science (Cambridge) (09.02.2022)
Published in Chemical science (Cambridge) (09.02.2022)
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A Ketimide-Stabilized Palladium Nanocluster with a Hexagonal Aromatic Pd 7 Core
Cook, Andrew W, Hrobárik, Peter, Damon, Peter L, Wu, Guang, Hayton, Trevor W
Published in Inorganic chemistry (21.01.2020)
Published in Inorganic chemistry (21.01.2020)
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Journal Article
Ultrafast Photophysics of Regioisomeric Triphenylamine Dyes Having Dipolar D‐π‐A‐A and Octupolar D‐(π‐A‐A)3 Character with a Benzothiazole Unit in Matched or Mismatched Orientation
Petropoulos, Vasilis, Georgoulis, Ioannis, Vourdaki, Chrisovalantou, Hrobárik, Peter, Sigmundová, Ivica, Nociarová, Jela, Maiuri, Margherita, Cerullo, Giulio, Fakis, Mihalis
Published in Chemphyschem (03.07.2023)
Published in Chemphyschem (03.07.2023)
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Spin state of two mononuclear iron(II) complexes of a tridentate bis(imino)pyridine N-donor ligand: Experimental and theoretical investigations
Bayeh, Yosef, Osuský, Patrik, Yutronkie, Nathan J., Gyepes, Róbert, Sergawie, Assefa, Hrobárik, Peter, Clérac, Rodolphe, Thomas, Madhu
Published in Polyhedron (15.11.2022)
Published in Polyhedron (15.11.2022)
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Journal Article
Stable Actinide π Complexes of a Neutral 1,4‐Diborabenzene
Paprocki, Valerie, Hrobárik, Peter, Harriman, Katie L. M., Luff, Martin S., Kupfer, Thomas, Kaupp, Martin, Murugesu, Muralee, Braunschweig, Holger
Published in Angewandte Chemie International Edition (27.07.2020)
Published in Angewandte Chemie International Edition (27.07.2020)
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Journal Article
Mechanism of the cooperative Si-H bond activation at Ru-S bonds
Stahl, Timo, Hrobárik, Peter, Königs, C David F, Ohki, Yasuhiro, Tatsumi, Kazuyuki, Kemper, Sebastian, Kaupp, Martin, Klare, Hendrik F T, Oestreich, Martin
Published in Chemical science (Cambridge) (01.07.2015)
Published in Chemical science (Cambridge) (01.07.2015)
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Journal Article
Nicotinamide-based supergelator self-assembling via asymmetric hydrogen bonding NH⋯OC and H⋯Br− pattern for reusable, moldable and self-healable nontoxic fuel gels
Kasak, Peter, Hrobárik, Peter, Osička, Josef, Soláriková, Dominika, Horváth, Branislav, Tkac, Jan, Sadasivuni, Kishor K., AlMaadeed, Mariam A., Mikláš, Roman
Published in Journal of colloid and interface science (01.12.2021)
Published in Journal of colloid and interface science (01.12.2021)
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Journal Article
Four-component relativistic density functional theory with the polarisable continuum model: application to EPR parameters and paramagnetic NMR shifts
Remigio, Roberto Di, Repisky, Michal, Komorovsky, Stanislav, Hrobarik, Peter, Frediani, Luca, Ruud, Kenneth
Published in Molecular physics (17.01.2017)
Published in Molecular physics (17.01.2017)
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Journal Article
Donor–π-acceptor benzothiazole-derived dyes with an extended heteroaryl-containing conjugated system: synthesis, DFT study and antimicrobial activity
Zajac, Marián, Hrobárik, Peter, Magdolen, Peter, Foltínová, Pavlína, Zahradník, Pavol
Published in Tetrahedron (10.11.2008)
Published in Tetrahedron (10.11.2008)
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Journal Article
Paramagnetic NMR of Phenolic Oxime Copper Complexes: A Joint Experimental and Density Functional Study
Bühl, Michael, Ashbrook, Sharon E., Dawson, Daniel M., Doyle, Rachel A., Hrobárik, Peter, Kaupp, Martin, Smellie, Iain A.
Published in Chemistry : a European journal (17.10.2016)
Published in Chemistry : a European journal (17.10.2016)
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Journal Article
A time resolved fluorescence and quantum chemical study of the solar cell sensitizer D149
Fakis, Mihalis, Hrobárik, Peter, Stathatos, Elias, Giannetas, Vassilis, Persephonis, Peter
Published in Dyes and pigments (01.01.2013)
Published in Dyes and pigments (01.01.2013)
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Journal Article
Computational Studies of Electron Paramagnetic Resonance Parameters for Paramagnetic Molybdenum Complexes. 1. Method Validation on Small and Medium-Sized Systems
Fritscher, Jörg, Hrobárik, Peter, Kaupp, Martin
Published in The journal of physical chemistry. B (03.05.2007)
Published in The journal of physical chemistry. B (03.05.2007)
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Journal Article