Wiktor Zierkiewicz

Summary

Country: Poland

Publications

  1. doi request reprint On the nature of unusual intensity changes in the infrared spectra of the enflurane···acetone 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. pmc 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. doi request reprint 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. doi request reprint 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 request reprint 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. doi request reprint 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. doi request reprint 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. doi request reprint 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. doi request reprint On the nature of unusual intensity changes in the infrared spectra of the enflurane···acetone 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. pmc 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. doi request reprint 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. doi request reprint 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 request reprint 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. doi request reprint 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. doi request reprint 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. doi request reprint 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...