Theoretical and Experimental Vibrational Spectroscopy (IR, Raman, VCD)

 

  • Michał K. Cyrański, Michał H. Jamróz, Anna Ryguła, Jan Cz. Dobrowolski, Łukasz Dobrzycki, and Malgorzata Baranska, On Two Alizarin Polymorphs, CrystEngComm, 000(2012)000-000.

     

  • Marta K. Jamróz, Michał H. Jamróz, Jan Cz. Dobrowolski, Jan A. Gliński, Michał Gleńsk,One new and six known triterpene xylosides from Cimicifuga racemosa: FT-IR, Raman and NMR studies and DFT calculations, Spectrochim. Acta A, 000(2012)000-000.

  • Małgorzata Barańska, Maciej Roman, Jan Cz. Dobrowolski, Hartwig Schulz, Rafał Barański, Recent Advances in Raman Analysis of Plants: Alkaloids, Carotenoids, and Polyacetylenes, Cur. Anal. Chem. 000(2012)000-000

  • Małgorzata Barańska, Jan Cz. Dobrowolski, Agnieszka Kaczor, Katarzyna Chruszcz-Lipska, K. Gorz, Tobacco alkaloids analyzed by Raman spectroscopy and DFT calculations, J. Raman. Spectr. 000(2012)000-000.

  • M. Roman, J. Cz. Dobrowolski, M. Baranska, R. Baranski, Spectroscopic Studies on Bioactive Polyacetylenes and Other Plant Components in Wild Carrot Root, J. Nat. Prod., 74 (2011) 1757–1763.
  • M. K. Jamróz, M. H. Jamróz, J. Cz. Dobrowolski, J. A. Gliński, M. H. Davey, I.Wawer, Novel and unusual triterpene from Black Cohosh. Determination of structure of 9,10-seco-9,19-cyclolanostane xyloside (cimipodocarpaside) by NMR, IR and Raman spectroscopy and DFT calculations, Spectrochim. Acta A, 78 (2011) 107–112.
  • M. Roman, J. Cz. Dobrowolski, M. Baranska, Theoretical modeling of molecular spectra parameters of disubstituted diacetylenes, J. Chem. Inform. Model., 51(2011)283–295.
  • J. Cz. Dobrowolski, M. H. Jamróz, Robert Kołos, J. E. Rode, M. K. Cyrański, J. Sadlej, IR low-temperature matrix, X-ray and ab initio study on L-isoserine conformations, Phys. Chem. Chem. Phys., 12(2010) 10818–10830.
  • 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.
  • M. H. Jamróz, M. E. Jamróz, J. E. Rode, E. Bednarek, J. Cz. Dobrowolski, Interpretation of Vibrational and NMR Spectra of Allyl Acrylate. An Evidence for Several Conformers, Vib. Spec. 50 (2009) 231–244.
  • J. Cz. Dobrowolski, M. H. Jamróz, R. Kołos, J. E. Rode, J. Sadlej, IR low-temperature matrix and ab initio study on β-alanine conformers, ChemPhysChem., 9(2008) 2042-2051.
  • J. Cz. Dobrowolski, S. Ostrowski, R. Kołos, M. H Jamróz, Ar-Matrix IR Spectra of 2-Propanol and its OD, D7 and D8 Isotopologues, Vib. Spec., 48(2008)82-91.
  • 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, J. E. Rode, J. Sadlej, Cysteine conformations revisited, J. Mol. Struct. (Theochem), 810(2007)129–134.
  • J. Cz. Dobrowolski, M. H. Jamróz, R. Kołos, J. E. Rode, J. Sadlej, Theoretical prediction and the first IR-matrix observation of several L-cysteine molecule conformers, ChemPhysChem., 8(2007)1085-1094.
  • M. E. Jamróz, M. Jarosz, J. Witowska-Jarosz, E. Bednarek, Witold Tęcza, M. H. Jamróz, J. Cz. Dobrowolski, J. Kijeński, Mono-, di-, and tri-tertbutyl ethers of glycerol. A molecular spectroscopic study., Spectrochim. Acta, A., 67(2007)980-988.
  • J. Sadlej, J. Cz. Dobrowolski, J. E. Rode, M. H. Jamróz, DFT study of vibrational circular dichroism spectra of D-lactic acid-water complexes, Phys. Chem. Chem. Phys., 8(2006)101-113.
  • J. Cz. Dobrowolski, J. E. Rode, Robert Kołos, M. H. Jamróz, K. Bajdor, A. P. Mazurek, Ar-matrix IR Spectra of 5-Halouracils Interpreted by Means of DFT Calculations, J. Phys. Chem., 109(2005)2167-2182.
  • J. Cz. Dobrowolski, R. Kołos, J. Sadlej, A. P. Mazurek,Theoretical and IR-matrix isolation studies on the urea and urea-D4, -13C, and -1,3-15N2 substituted molecules, Vib. Spectry., 29(2002)261-282.