Publikacje
2009
- J. Wasilewski, S. Zelek,
"Evolution of orbital spaces along potential curves for diatomic molecules. A comparative study of Hartree–Fock, Kohn–Sham, Brueckner and multi-configurational orbital spaces "
J. Mol. Struct. 905 (2009), 24-33
DOI: http://dx.doi.org/10.1016/j.theochem.2009.03.004
2008
- Ł. Pepłowski, K. Kubiak-Ossowska, S. Zelek, W. Nowak,
"A Comparative DFT Study of Substrates and Products of Industrial Enzyme Nitrile Hydratase"
Int. J. Quantum Chem. 108 (2008), 161-179
2003
- S. Zelek, Lech Cyrnek, J. Wasilewski,
"Lower vibrational states of SO2. Density functional and discrete variable representation approach"
J. Mol. Struct. 629 (2003), 61-70
DOI: http://dx.doi.org/10.1016/S0166-1280(03)00127-1