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Wiktor Zierkiewicz
Researcher at Wrocław University of Technology
Publications - 111
Citations - 2325
Wiktor Zierkiewicz is an academic researcher from Wrocław University of Technology. The author has contributed to research in topics: Molecule & Hydrogen bond. The author has an hindex of 24, co-authored 99 publications receiving 1941 citations. Previous affiliations of Wiktor Zierkiewicz include Royal Institute of Technology & Academy of Sciences of the Czech Republic.
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Electronic structures, vibrational spectra, and revised assignment of aniline and its radical cation: Theoretical study
TL;DR: In this article, a detailed analysis of the aniline radical cation was performed by using the unrestricted density functional (UB3LYP) and second-order Moller-Plesset (UMP2) methods with the extended 6-311++G(df,pd) basis set.
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Using mechanistic and computational studies to explain ligand effects in the palladium-catalyzed aerobic oxidation of alcohols.
TL;DR: Details of the study illustrate that the use of TEA results in an active catalyst that has only one ligand bound to the Pd, resulting in a significant lowering of the activation energy for beta-hydride elimination and, therefore, a catalyst that is active at room temperature.
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Molecular Structures and Infrared Spectra of p-Chlorophenol and p-Bromophenol. Theoretical and Experimental Studies
TL;DR: In this article, the molecular structures of p-chlorophenol and p-bromophenol have been calculated with the MP2, DFT(hybrid), and HF methods using the extended 6-311++G(df, pd) basis set.
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On differences between hydrogen bonding and improper blue-shifting hydrogen bonding.
TL;DR: The symmetry-adapted perturbation theory (SAPT) has been utilized to decompose the total interaction energy into physically meaningful contributions and, contrary to a frequently presented idea, the electric field of the proton acceptor cannot solely explain the different behavior of the H-bonded and improper blue-shifting H- bonded complexes.
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``Troublesome'' Vibrations of Aromatic Molecules in Second-Order Möller-Plesset and Density Functional Theory Calculations: Infrared Spectra of Phenol and Phenol-OD Revisited
Danuta Michalska,Wiktor Zierkiewicz,Dariusz C. Bieńko,Walter Wojciechowski,Thérèse Zeegers-Huyskens +4 more
TL;DR: In this article, the Fourier transform infrared (FT-IR) spectra of phenol and phenol-OD have been measured in carbon tetrachloride and cyclohexane solutions, in the frequency range 3700−400 cm-1, and the experimental integrated infrared intensities are reported.