Associate Professor
Jan Turulski (head),
Phone (+48)(85) 745-78-12
Ph.D. 1982, D.Sc. 1991




15-339 Białystok, ul. Hurtowa 1





Artur Ratkiewicz, Ph.D. 2000; (+48)(85) 745-78-35
Sławomir Wojtulewski, Ph.D. 2007; (85) 745-78-13
Barbara Bankiewicz, M.Sc.; (+48)(85) 745-78-13
Jerzy Iwaniuk, M.Sc. (+48)(85) 745-78-35
RESEARCH INTERESTS

Gas phase chemical kinetics. Statistical adiabatic channel model and transition state theory applied to thermal ion – molecule (polar or nonpolar) reactions. Effect of molecular (dipol or quadrupole moment, polarizability, reduced mass, moment of inertia, nuclear spin, electronic stucture, etc.) and thermodynamic (energy, temperature) parameters on an ion - molecule charge transfer rate constant. Chemical graph theory. Graph invariants, topological characterization of molecules, structure-property and structure – activity correlations (J. Turulski, M.Wisniewska).
Crystallography. Influence of weak C-H...C hydrogen bonds within Acam crystal structure of acetylene on the molecule arrangement. Intramolecular interactions of the -CN groups in the crystal structure of 2-methyl-3-(2-methylphenyl)-but-1-en-1,1-dicarbonitrile and the possibility of weak intramolecular hydrogen bridges in the molecule. Proton position evaluation for a given O..O interatomic distance and the hydrogen-bond energy from the proposed model based on the bond number conservation rule. Application of this method (complementary to the X-ray diffraction technique) to the structural studies (S.Wojtulewski, M.Wiśniewska).

PUBLICATIONS

  1. J.Turulski, J.Niedzielski, "Novel type thermodynamically stable phase in complex chemical system", Match, 82, 19-28, (2004)
  2. J.Turulski, J.Niedzielski, "Earth's biodiversity as interpreted by a chemist", J.Math.Chem., 36, 29-40, (2004)
  3. Ratkiewicz A., Truong T.N. 2003, Applications of chemical graph theory for automated mechanism generation. J.Chem.Inf. & Computer Sci. 43: 36-44.
  4. Turulski J., Su T., Niedzielski J., Pezler B. 2002. Classical theories of the ion/linear quadrupole capture. Int.J.Mass Spectrom.216,115-128.
  5. Turulski J., Niedzielski J. 2002. The use of graph theory in thermodynamics of phase equilibria. J.Chem.Inf. & Computer Sci.:42, 534-539.
  6. Wiśniewska M., Grabowski S.J. 2002. Hydrogen bonding properties of the complexes of formaldehyde...Monatshefte fur chemie 133:: 305-312.
  7. Wojtulewski S., Grabowski S.J. 2002. DFT and AIM studies on two-ring resonance assisted hydrogen bonds. Theochem 645: 287-294.
  8. Wojtulewski S., Grabowski S.J. 2002. Ab initio and AIM studies on intramolecular dihydrogen bonds. J. Molec. Struct.645: 287-294.
  9. Grabowski S.J., Wiśniewska M. 2001. The existence of extremely short O-H bond within O-H...O systems.. J. Molec. Struct. 559: 201-207.
  10. A.Ratkiewicz, J.Niedzielski, J.Turulski, "Effect of a homonuclear molecule on the rate of ion capture", Chem.Phys., 263, 317-325 (2001)
  11. J.Turulski, J.Niedzielski, T.Su, "Simple capture collision model for cation-anion reactions in the gas phase", Chem.Phys., 264, 197-201, (2001)
  12. Grabowski S. J., Krygowski T. M., The Proton Transfer Path for C=O...H-O Systems Modelled From Crystal Structure Data CHEMICAL PHYSICS LETTERS, 1999, Vol. 305, pp 247-250
  13. A.Ratkiewicz, J.Niedzielski, J.Turulski, "Isotope effects in the ion/molecule capture", Int.J.Mass Spectrom. Ion Processes , 184, 75-81 (1999)
  14. Grabowski S. J., Krygowski T. M., Estimation of the Proton Position and the Energy of O-H..O Bridges in Crystals from X-ray Diffraction Data TETRAHEDRON, 1998, Vol. 54, pp 5683-5694
  15. Krygowski T. M., Grabowski S. J., Konarski J., Water Molecules as a Gluing Factor in Organic Crystals and Biological Systems TETRAHEDRON, 1998, Vol. 54, pp 11311-11316
  16. Grabowski S. J., Analysis of C=O...H-O Interactions in Organic Crystal Structures TETRAHEDRON, 1998, Vol. 54, pp 10153-10160
  17. Pezler B., Niedzielski J., Ratkiewicz A., Turulski J., Temperature dependence of the charge-linear dipole capture rate constant CHEM PHYS 1997, Vol. 222, pp 215-221
  18. Grabowski S. J., Simulation of the Orthorhombic Crystal Structure of Acetylene Using Atom-Atom Potential Calculations J CHEMRES-S, 1996, Vol. S , pp 534-535
  19. Grabowski S. J., Wilamowski J., Osman D., Speioł J. J., Rodier N., Synthesis, Crystal Structure and Intramolecular Interactions of 2-Methyl-3-(2methylphenyl)-but-1-ene-1,1-dicarbonitrile (MMBD) AUST J CHEM, 1996, Vol. 49, pp 951-954
  20. A.Ratkiewicz, J.Turulski, J.Niedzielski, J.Chem.Soc. Faraday Trans., 92, 4155-4158, (1996), "Non-adiabatic effects in the reactions of strongly polar ions with molecule"
  21. Bukowski R., Jeziorski B., Rybak S., Szalewicz K., 2nd-Order Correlation-Energy for H2O Using Explicitly Correlated Gaussian Geminals, J CHEM PHYS, 1995, Vol 102, Iss 2, pp 888-897
  22. Grabowski S. J., Dubis A., Intramolecular C-H..Hydrogen Bonds in the Crystal-Structure of Ethyl 3,4,5-Trimethoxybenzoate (Etmb) POLISH J CHEM, 1995, Vol 69, Iss 2, pp 218-222
  23. Grabowski S. J., Pi-Electrons as an Acceptor of Proton in H-Bonds in the Structure of Acetylene POLISH J CHEM, 1995, Vol 69, Iss 2, pp 223-228
  24. Ratkiewicz A., Niedzielski J., Turulski J., Non-adiabatic Effects in Ion-Molecule Reactions INT J MASS SPECTROM ION PROC, 1995, Vol 142, Iss 1-2, pp 31-39
  25. A.Ratkiewicz, J.Turulski, J.Niedzielski, Int. J. Mass Spectrom. Ion Processes, 139, 155-162, (1995), "Non-adiabatic effects in ion/ molecule reactions"
  26. J.Turulski, J.Niedzielski, B.Pezler, Chem.Phys.,192, 319-323, (1995), "The capture rate of an ion by a symmetrical top quadrupole"
  27. J.Turulski, J.Niedzielski, "Transition State Theory of Fast Charge-Transfer Reactions ...", in "Advances in Classical Trajectory Methods" ed. W. Hase, JAI Press Greenwich, vol.2, p. 209-253,(1994)
  28. J.Turulski, J.Niedzielski, B.Pezler, J.Chem.Soc.Faraday Trans., 90, 3061-3063, (1994), "Transition- State Theory treatment of capture collisions between ions and symmetric top dipolar molecules."
  29. J.Turulski, J.Niedzielski, Int.J. Mass Spectrom. Ion Processes, 139, 155-162, (1994) "The classical langevin rate constant for the ion- molecule capture: when, if at all, is it constant?"
  30. B.Pezler, J.Turulski, J.Niedzielski, J.Chem.Soc. Faraday Trans., 89, 655-670, (1993), "Effect of anisotropy of polarizibility of the linear quadrupole molecule on the rate of ion capture"
  31. J.Turulski, A.Mazurek, J.Niedzielski, Int. J.Mass Spectr.Ion Processes, 128, 165-171 ,(1993), "Effect of the transmission reflection properties of the barrier for the activated complex on the rate"
  32. J.Turulski, J.Niedzielski, K.Sakimoto, Chem.Phys., 177, 387-395, (1993), "The rate of ion-linear dipole capture at extremely low temperatures estimated with the use the SACM"
Uniwersytet w Białymstoku
Webmaster