Computational Studies on Structure, Conformation, and Intermolecular Interactions

  • J. E. Rode, J. Cz. Dobrowolski, On Chirality Transfer in Electron-Donor-Acceptor Complexes. A Prediction for the Sulfinimine•••BF3 System, Chirality, 24 (2012) 5-16.
  • J. Sadlej, J. Cz. Dobrowolski, J. E. Rode, VCD spectroscopy as a novel probe for chirality transfer in molecular interactions, Chem. Soc. Rev., 39(2010) 1478–1488.
  • J. Sadlej, J. Cz. Dobrowolski, J. E. Rode, M. H. Jamróz, Density Functional Theory Study on Vibrational Circular Dichroism as a Tool for Analysis of Intermolecular Systems: (1:1) Cysteine-Water Complex Conformations, J. Phys. Chem. A, 111(2007)10703-10711.
  • J. Cz. Dobrowolski, R. Kawęcki, Interaction of sulfinimines with boron trifluoride. A theoretical study, J. Mol. Struct., 734(2005)235-239.
  • J. E. Rode, J. Cz. Dobrowolski, VCD technique in determining itermolecular H-bond geometry. A DFT study, J. Mol. Struct. (Theochem), 637(2003)81-89.
  • J. E. Rode, J. Cz. Dobrowolski, Theoretical Studies on the Oxetane···HCl and Thietane···HCl Complexes, Chem. Phys. Lett., 360(2002)123-132.
  • M. H. Jamróz, J. Cz. Dobrowolski, J. E. Rode, M. A. Borowiak, Theoretical and Eperimental IR Spectra and Stability of Dibenzyl Carbamic Acid Dimer, J. Mol. Struct. (Theochem), 618(1-2)(2002)101-108.