QUANTUM CHEMISTRY GROUP

Staff Members

Marek Kręglewski, Prof.

Room: G 4.88
Phone: +48 61 829 1660
e-mail: mkreg[at]amu.edu.pl

RESEARCH PROFILE

High resolution molecular spectroscopy of floppy molecules, determination of potential energy surfaces for large amplitude vibrations, multi-dimensional calculations of rovibrational energy levels, quantum chemical calculation, software assisting the analysis of high resolution molecular spectra.
Coordination of the development of software supporting the management of higher education institutions in Poland.


Selected publications

  1. Iwona Gulaczyk, Marek Kręglewski, Veli-Matti Horneman Second torsional state of methylamine from high resolution IR spectra Journal of Quantitative Spectroscopy and Radiative Transfer 217 (2018) 321-328
  2. Iwona Gulaczyk, Marek Kręglewski, Veli-Matti Horneman Accurate rovibrational energies for the first excited torsional state of methylamine, Journal of Molecular Spectroscopy 342 (2017) 25-30
  3. Marek Kręglewski, Iwona Gulaczyk Inversion-torsional motion in the ethyl radical Chemical Physics Letters 592 (2014) 307-313
  4. Iwona Gulaczyk, Marek Kręglewski Theoretical analysis of the proton transfer and internal rotation in 2-methylmalonaldehyde Chemical Physics Letters 583 (2013) 180-184
  5. Iwona Gulaczyk, Marek Kręglewski, Veli-Matti Horneman The C-N stretching band of methylamine, Journal of Molecular Spectroscopy 270 (2011) 70-74