Paweł Lipkowski, Ph.D.


Research profile

Dr. Pawel Lipkowski is now a research assistant in the Institute of Physical and Theoretical Chemistry at the Department of Chemistry of the Wroclaw University of Technology.

He graduated from the University of Wroclaw, where he also received his Ph.D degree in Theoretical Chemistry with distinction in 2002 (Supervisor - Prof. Dr hab. A. Koll). During his Ph.D study, in 1999, 2000, 2001 and 2002, he was a visiting research associate with Prof. A. Karpfen and Prof. P. Wolschann at the Institute for Theoretical Chemistry and Molecular Biology of the University of Vienna. In 2000 he visited research team of Prof. A. Sadlej at Mikolaj Kopernik University, Torun, Poland.

His current research activity concentrates on:
  • calculation of anharmonic vibrational frequencies of OH stretching mode
  • theoretical investigation of IR and NMR properties
  • testing the quality of AIM method for describing the weak intramolecular hydrogen bond
  • ab initio study of intramolecular hydrogen bond in aminoalcohols, Mannich and Schiff bases


  1. A. Roztoczyńska, J. Kozłowska, P. Lipkowski, W. Bartkowiak, Does the spatial confinement influence the electric properties and cooperative effects of the hydrogen bonded systems? HCN chains as a case study., Chemical Physics Letters 608 264-268 (2014)
  2. J. J. Panek, A. Jezierska-Mazzarello, P. Lipkowski, A. Martyniak, A. Filarowski, Document Comparison of resonance assisted and charge assisted effects in strengthening of hydrogen bonds in dipyrr, J. Chem. Inf. Model 54 86-95 (2014) DOI
  3. P. Lipkowski, S. Grabowski, Could the lithium bond be classified as the σ-hole bond? – QTAIM and NBO analysis, Chem. Phys. Lett. 591 113 (2014) DOI
  4. P. Lipkowski, J. Kozłowska, A. Roztoczyńska, W. Bartkowiak, Hydrogen-bonded complexes upon spatial confinement: Structural and energetic aspects, Phys.Chem. Chem. Phys. 16 1430-1440 (2014) DOI
  5. A. Martyniak, P. Lipkowski, N. Boens, A. Filarowski, Electron-topological, energetic and π-electron delocalization analysis of ketoenamine-enolimine tautomeric equilibrium , J. Mol. Model. 18 257 (2012) DOI
  6. B. Skwara, R. W. Góra, R. Zaleśny, P. Lipkowski, W. Bartkowiak, H. Reis, M. Papadopoulos, J. M. . Luis, B. . Kirtman, On the Electronic Structure, Bonding, Spectra, and Linear and Nonlinear Electric Properties of Ti@C28, J. Phys. Chem. A 115 (37), 10370–10381 (2011) DOI
  7. S. Grabowski, P. Lipkowski, Characteristics of X-H⋯π interactions: Ab initio and QTAIM studies , J. Phys. Chem. A 115 (18), 4765-4773 (2011) DOI
  8. J. Saloni, P. Lipkowski, S. S. Dasary, Y. Anjaneyulu, H. Yu, G. Hill, Theoretical study of molecular interactions of TNT, acrylic acid, and ethylene glycol dimethacrylate - Elements of molecularly imprinted polymer modeling process , Plymer 52 (4), 1206-1216 (2011) DOI
  9. Ż. Czyżnikowska, R. W. Góra, R. Zaleśny, P. Lipkowski, K. Jarzembska, P. Dominiak, J. Leszczynski, Structural variability and the nature of intermolecular interactions in Watson-Crick B-DNA base pairs, J. Phys. Chem. B 114 (29), 9629–9644 (2010) DOI
  10. Ł. Wiśniewski, I. Deperasińska, A. Staszewska, P. Stefanowicz, S. Berski, P. Lipkowski, Z. Szewczuk, A. Szemik-Hojniak, Photophysical Properties of Dipeptides Containing Substituted 3-(Quinoxalin-6-yl) Alanine. Spectroscopic Studies and Theoretical Calculations, J. Phys. Chem A 114 9405-9412 (2010) DOI
  11. Ż. Czyżnikowska, P. Lipkowski, R. W. Góra, R. Zaleśny, A. Cheng, On the nature of intermolecular interactions in nucleic acid base-amino acid side-chain complexes, J. Phys. Chem. B 113 (33), 11511–11520 (2009) DOI
  12. Ż. Czyżnikowska, J. Kurzawa, R. Zaleśny, P. Lipkowski, W. Bartkowiak, Reinvestigation of electronic structure and properties of large betaine molecules, Chem. Phys. Lett. 480 37-40 (2009)
  13. V. E. Borisenko, S. A. Krekov, M. Y. Fomenko, A. Koll, P. Lipkowski, Influence of methoxy- and nitro-substitutions in the aromatic ring on proton donation ability in hydrogen bond and on the amino group parameters of free and H-bonded molecules of 2-aminopyrimidine, J. Mol. Struct. 882 (1-3), 9-23 (2008) DOI [[copy available on request]]
  14. A. Filarowski, A. Koll, P. Lipkowski, A. Pawlukojć, Inelastic neutron scattering and vibrational spectra of 2-(N-methyl-alpha-iminoethyl)-phenol and 2-(N-methyliminoethyl)-phenol: Experimental and theoretical approach, J. Mol. Struct. 880 (1-3), 97-108 (2008) DOI [[copy available on request]]
  15. M. Kluba, P. Lipkowski, A. Filarowski, Theoretical investigation of tautomeric equilibrium in ortho-hydroxy phenyl Schiff bases , Chem.Phys.Lett. 463 (4-6), 426-430 (2008) DOI [[copy available on request]]
  16. S. M. Melikova, K. Rutkowski, P. Lipkowski, D. Shchepkin, A. Koll, FTIR studies of HCl dissolved in liquid CO: Anharmonic effects in the weak OC...HCl complex, J. Mol. Struct. 844-845 (12 ), 64-69 (2007) DOI [[copy available on request]]
  17. R. N. Allen, P. Lipkowski, M. Shukla, J. Leszczynski, Vibrational analysis of complexes of urate with IA group metal cations (Li+, Na+ and K+), Spectrochim. Acta, Part A 68 639-645 (2007) DOI [[copy available on request]]
  18. P. Lipkowski, S. Grabowski, J. Leszczynski, Properties of the Halogen-Hydride Interactions: An ab Initio and , J. Phys. Chem. A 110 (34), 10296-10302 (2006) DOI [copy available on request]
  19. J. Hanuza, M. Mączka, W. Sąsiadek, S. Roszak, P. Lipkowski, A. Kaminskii, E. Haussühl, J. Hulliger, A. Hussin, Polarized IR and Raman spectra and ab initio calculations for bis(guanidine) zirconium bis(nitrilotriacetate) hydrate single crystal [C(NH2)3]2Zr[N(CH2COO)3]2(H2O)—The new laser Raman converter, Spectrochim. Acta, Part A 65 969-984 (2006) DOI [copy available on request]
  20. Y. Podolyan, P. Lipkowski, J. Leszczynski, A density functional theory study of vibrational infrared spectra of N-methyl-P tautomers, J. Mol. Struct. 792-793 9-15 (2006) DOI [copy available on request]
  21. M. Fuentes-Cabrera, P. Lipkowski, O. Huertas, B. G. Sumpter, M. Orozco, J. F. Luque, J. C. Wells, Aromaticity-induced changes in electronic properties of size-expanded DNA bases: Case of xC, Int. J. Quant. Chem. 106 (11), 2339-2346 (2006) DOI [copy available on request]
  22. M. Fuentes-Cabrera, B. G. Sumpter, P. Lipkowski, J. C. Wells, Size-expanded yDNA bases: An ab initio study, J. Phys. Chem. B 110 (12), 6379-6384 (2006) DOI [(copy available on request)]
  23. P. Godlewska, H. Ban-Oganowska, L. Macalik, J. Hanuza, W. Oganowski, S. Roszak, P. Lipkowski, Normal Coordinate Analysis and DFT Calculations of the Vibrational Spectra for Lanthanide (III) Complexes with 3-bromo-4-metoxy-2,6-lutidine N-oxide: LnCl3 (3Br4CH3OC7H7NO)3 (Ln=Pr, Nd, Sm, Eu, Gd, Dy), J. Mol. Struct. 782 1-15 (2006) DOI
  24. V. E. Borisenko, S. A. Krekov, M. A. Niyazova, A. Koll, P. Lipkowski, Influence of chlorine-substitution in pyrimidine ring on proton donor ability in H-bond and parameters of amino group of 2-amino pyrimidine, Vib. Spectrosc. 37 (1), 97-109 (2005) DOI [copy available on request]
  25. K. Hilpert, S. Roszak, J. Saloni, M. Miller, P. Lipkowski, J. Leszczynski, The Dimerisation of SnCl2(g): Mass Spectrometric and Theoretical Studies., J. Phys. Chem. A 109 (7), 1286-1294 (2005) DOI
  26. W. Bartkowiak, P. Lipkowski, Hydrogen-bond effects on the electronic absorption spectrum and evaluation of nonlinear optical properties of an aminobenzodifuranone derivative that exhibits the largest positive solvatochromism, J. Mol. Model. 11 (4-5), 317-322 (2005) DOI
  27. P. Lipkowski, S. Grabowski, T. L. Robinson, J. Leszczynski, Properties of the C-H center dot center dot center dot H dihydrogen bond: An ab initio and topological analysis, J. Phys. Chem. A 108 (49), 10865-10872 (2004) DOI [copy available on request]
  28. P. Lipkowski, A. Koll, A. Karpfen, P. Wolschann, Steric enhancement of the strength of intramolecular hydrogen bond in 3-Cl substituted 2-(N-dimethylaminomethyl) phenols, Chem.Phys.Lett. 370 (1-2), 74-82 (2003) DOI [copy available on request]
  29. P. Lipkowski, A. Koll, A. Karpfen, P. Wolschann, An approach to estimate the energy of the intramolecular hydrogen bond, Chem.Phys.Lett. 360 (3-4), 256-263 (2002) DOI [copy available on request]
  30. K. Rutkowski, K. Tokhadze, P. Lipkowski, A. Koll, R. Ahmedjonov, M. Kulieva, Evolution of IR spectra of a weakly-bound OCO center dot center dot center dot HCl complex with increasing CO2 density from the gas to liquid phase, J. Mol. Struct. 598 (2-3), 205-211 (2001) DOI [copy available on request]
  31. K. Rutkowski, S. M. Melikova, D. Shchepkin, P. Lipkowski, A. Koll, Higher-order transitions in the IR spectrum of the weak OC center dot center dot center dot HCl complex dissolved in liquid CO, Chem.Phys.Lett. 325 (4), 425-432 (2000) DOI [copy available on request]
  32. M. Przesławska, S. M. Melikova, P. Lipkowski, A. Koll, Gas phase FT-IR spectra and structure of aminoalcohols with intramolecular hydrogen bonds I. The shape of the v(OH) vibrational bands in R2NC3H6OH (R = H, CH3), Vib. Spectrosc. 20 (1), 69-83 (1999) DOI [copy available on request]