Wiktor Zierkiewicz

Summary

Country: Poland

Publications

  1. ncbi On the nature of unusual intensity changes in the infrared spectra of the enfluraneacetone complexes
    Wiktor Zierkiewicz
    Faculty of Chemistry, Wroclaw University of Technology, Wybrzeze Wyspianskiego 27, 50 370 Wrocław, Poland
    Phys Chem Chem Phys 15:6001-7. 2013
  2. ncbi Theoretical studies of the interaction between enflurane and water
    Wiktor Zierkiewicz
    Faculty of Chemistry, Wrocław University of Technology, Wybrzeze Wyspianskiego 27, 50 370 Wrocław, Poland
    J Mol Model 19:1399-405. 2013
  3. ncbi The amino group in adenine: MP2 and CCSD(T) complete basis set limit calculations of the planarization barrier and DFT/B3LYP study of the anharmonic frequencies of adenine
    Wiktor Zierkiewicz
    Faculty of Chemistry, Wrocław University of Technology, Wybrzeze Wyspianskiego 27, 50 370 Wrocław, Poland
    J Phys Chem B 112:16734-40. 2008
  4. ncbi Adenine ribbon stabilized by Watson-Crick and Hoogsteen hydrogen bonds: WFT and DFT study
    Wiktor Zierkiewicz
    Faculty of Chemistry, Wrocław University of Technology, Wybrzeze Wyspianskiego 27, 50 370 Wrocław, Poland
    Phys Chem Chem Phys 12:2888-94. 2010
  5. ncbi Theoretical investigation of the conformation, acidity, basicity and hydrogen bonding ability of halogenated ethers
    Wiktor Zierkiewicz
    Faculty of Chemistry, Wrocław University of Technology, Wybrzeze Wyspianskiego 27, 50 370 Wrocław, Poland
    Phys Chem Chem Phys 12:13681-91. 2010
  6. ncbi Halogen bonded complexes between volatile anaesthetics (chloroform, halothane, enflurane, isoflurane) and formaldehyde: a theoretical study
    Wiktor Zierkiewicz
    Faculty of Chemistry, Wrocław University of Technology, Wybrzeze Wyspianskiego 27, 50 370 Wrocław, Poland
    Phys Chem Chem Phys 13:5105-13. 2011
  7. ncbi Blue shifts and unusual intensity changes in the infrared spectra of the enflurane···acetone complexes: spectroscopic and theoretical studies
    Wiktor Zierkiewicz
    Faculty of Chemistry, Wroclaw University of Technology, Wrocław, Poland
    J Phys Chem A 115:11362-8. 2011
  8. ncbi Atypical calcium coordination number: Physicochemical study, cytotoxicity, DFT calculations and in silico pharmacokinetic characteristics of calcium caffeates
    Gabriela Maciejewska
    Institute of Inorganic Chemistry, University of Technology, Wroclaw, Poland
    J Inorg Biochem 103:1189-95. 2009

Detail Information

Publications8

  1. ncbi On the nature of unusual intensity changes in the infrared spectra of the enfluraneacetone complexes
    Wiktor Zierkiewicz
    Faculty of Chemistry, Wroclaw University of Technology, Wybrzeze Wyspianskiego 27, 50 370 Wrocław, Poland
    Phys Chem Chem Phys 15:6001-7. 2013
    ..Moreover, ten different exchange-correlation functionals were tested with regard to their performance in the prediction of IR intensity changes of the ν(C-H) stretching vibrations, in the title complexes...
  2. ncbi Theoretical studies of the interaction between enflurane and water
    Wiktor Zierkiewicz
    Faculty of Chemistry, Wrocław University of Technology, Wybrzeze Wyspianskiego 27, 50 370 Wrocław, Poland
    J Mol Model 19:1399-405. 2013
    ..The intermolecular (Cl···O) distance is smaller than the sum of the corresponding van der Waals radii. The CCSD(T)/CBS stabilization energies for these complexes are about -2 kcal mol(-1)...
  3. ncbi The amino group in adenine: MP2 and CCSD(T) complete basis set limit calculations of the planarization barrier and DFT/B3LYP study of the anharmonic frequencies of adenine
    Wiktor Zierkiewicz
    Faculty of Chemistry, Wrocław University of Technology, Wybrzeze Wyspianskiego 27, 50 370 Wrocław, Poland
    J Phys Chem B 112:16734-40. 2008
    ..It is demonstrated that the vibrational frequencies and potential energy distribution (PED) obtained from the B3LYP calculations are more reliable than those obtained at the MP2 level...
  4. ncbi Adenine ribbon stabilized by Watson-Crick and Hoogsteen hydrogen bonds: WFT and DFT study
    Wiktor Zierkiewicz
    Faculty of Chemistry, Wrocław University of Technology, Wybrzeze Wyspianskiego 27, 50 370 Wrocław, Poland
    Phys Chem Chem Phys 12:2888-94. 2010
    ..The results from the DFT symmetry adapted perturbation theory analysis have revealed that the contribution of dispersion to the binding energy of the adenine ribbon is about 25%...
  5. ncbi Theoretical investigation of the conformation, acidity, basicity and hydrogen bonding ability of halogenated ethers
    Wiktor Zierkiewicz
    Faculty of Chemistry, Wrocław University of Technology, Wybrzeze Wyspianskiego 27, 50 370 Wrocław, Poland
    Phys Chem Chem Phys 12:13681-91. 2010
    ....
  6. ncbi Halogen bonded complexes between volatile anaesthetics (chloroform, halothane, enflurane, isoflurane) and formaldehyde: a theoretical study
    Wiktor Zierkiewicz
    Faculty of Chemistry, Wrocław University of Technology, Wybrzeze Wyspianskiego 27, 50 370 Wrocław, Poland
    Phys Chem Chem Phys 13:5105-13. 2011
    ..Moreover, the dispersion and electrostatic contributions cover about 95% of the total attraction forces, in these complexes...
  7. ncbi Blue shifts and unusual intensity changes in the infrared spectra of the enflurane···acetone complexes: spectroscopic and theoretical studies
    Wiktor Zierkiewicz
    Faculty of Chemistry, Wroclaw University of Technology, Wrocław, Poland
    J Phys Chem A 115:11362-8. 2011
    ..The NBO analysis was performed to unravel the origin of the unusual intensity changes of two ν(C-H) stretching bands, in enflurane complexes...
  8. ncbi Atypical calcium coordination number: Physicochemical study, cytotoxicity, DFT calculations and in silico pharmacokinetic characteristics of calcium caffeates
    Gabriela Maciejewska
    Institute of Inorganic Chemistry, University of Technology, Wroclaw, Poland
    J Inorg Biochem 103:1189-95. 2009
    ..The compounds were found to be cytotoxically inactive. Finally, in silico parameters predict the potential application of the compound as a supplement and/or drug...