Doc. Jan Cz. Dobrowolski, D.Sc.

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Selected papers published between 2003 and 2007 (updated Nov. 19th, 2007)

• J. E. Rode, J. Cz. Dobrowolski, Variation of BCP ellipticities in the course of the pericyclic and pseudopericyclic [2 + 2] cycloaddition reactions of cumulenes, Chem. Phys. Lett., 449 (2007) 240-245.

• J. Sadlej, Jan 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, 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.

• S. Ostrowski, J. Cz. Dobrowolski, J. Kijeński, Alkylation of the toluene methyl group. A DFT study., Catal. Commun. 8(2007)1354-1360.

• J. Cz. Dobrowolski, J. E. Rode, J. Sadlej, Cysteine conformations revisited, J. Mol. Struct. (Theochem), 810(2007) 129-134.

• M. E. Jamróz, M. Jarosz, J. Witowska-Jarosz, E. Bednarek, W. 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.

• W. P. Ozimiński, P. Garnuszek, E. Bednarek, J. Cz. Dobrowolski, The Pt(II) and Pt(IV) Complexes with Histamine, Inorg. Chim. Acta, 360(2007)1902-1914

• R. Kazimierczuk, T. Woźniewski, M. Borowiak, E. Zimnicka, K. Zwoliński, Z. Rogulski, A. Trzeciak, S. Ostrowski, J. Cz. Dobrowolski, W. Skupński, Formation of acetaldehyde via photocarbonylation of methane with CO, Tetrahedron Lett., 48(2007)7046-7048.

• J.Cz. Dobrowolski, Wyznaczanie liczby izomerów: od Cayleya do nanorurek, Wiad. Chem., 60(2006)172-190

• 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. E. Rode, J. Cz. Dobrowolski, The Reaction Paths of the [2+2] Cycloaddition of the X=C=Y Molecules (X, Y=S or O or CH2). An ab Initio Study, J. Phys. Chem. A, 110(2006)207-218.

• J. E. Rode, J. Cz. Dobrowolski, An ab Initio Study on the Allene-Isocyanic Acid and Ketene-Vinylimine [2+2] Cycloaddition Reactions Paths, J. Phys. Chem. A, 110(2006)3723-3737.

• M. H. Jamróz, J. Cz. Dobrowolski, R. Brzozowski, Vibrational Modes of 2,6-, 2,7-, and 2,3-Diisopropylnaphthalene. A DFT Study, J. Mol. Struct., 787(2006)172-183.

• J. Cz. Dobrowolski, J. E. Rode, R. 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.

• S. Ostrowski, J. Cz. Dobrowolski, J. Kijeński, Vibrational Spectra of Isopropyl Alcohol Interacting with Metal Oxides. A DFT Study. J. Mol. Struct., 744-747(2005)893-900.

• J. E. Rode, E. D. Raczyńska, E. Górnicka, J. Cz. Dobrowolski, Low inversion energy barrier of cutisine NH group - an expanation for the FT-IR signals splitting, J. Mol. Struct., 749(2005)51-59.

• J. Cz. Dobrowolski, A. P. Mazurek, Model Carbyne vs. Ideal and DNA Catenanes, J. Chem. Inf. Model., 45(2005)1030-1038.

• M. Jarończyk, J. Cz. Dobrowolski, A. P. Mazurek, Tautomerism of 1,3-diphospholes. A DFT study, Chem. Phys. Lett., 406(2005)173-178.

• J. Cz. Dobrowolski, R. Kawęcki, Interaction of sulfinimines with boron trifluoride. A theoretical study, J. Mol. Struct., 734(2005)235-239.

• W. P. Ozimiński, J. Cz. Dobrowolski, On tautomerism, planarity, and vibrations of phospholes, Chem. Phys., 313(2005)123-132.

• M. H. Jamróz, R. Brzozowski, J. Cz. Dobrowolski, Search for IR spectral features of less-abundant diisopropylnaphthalenes based on comparison of theoretical and experimental spectra, Spectrochim. Acta A. Mol. Biomol. Spectr., 60(2004)371-375.

• S. Ostrowski, J. Cz. Dobrowolski, M. H. Jamróz, R. Brzozowski, Equilibrium mixture of the diisopropylbenzenes: A DFT study, Catal. Commun., 5(2004)733-737.

• J. Cz. Dobrowolski, J. Sadlej, A. P. Mazurek, An ab initio study on monocyclic ß-lactam antibiotics, J. Mol. Struct. (Theochem), 684(2004)181-186.

• M Jarończyk, J. Cz. Dobrowolski, A. P. Mazurek, Theoretical studies on tautomerism and IR spectra of pyrazole derivative. J. Mol. Struct. (Theochem), 673(2004)17-28.

• W. P. Ozimiński, J. Cz. Dobrowolski, A. P. Mazurek, DFT studies on tautomerism of C5-substituted 1,2,4-triazoles, J. Mol. Struct. (Theochem), 680(2004)107-115.

• R. Kołos, J. Cz. Dobrowolski, HCNCC-the possible isomer of cyanoacetylene, Chem. Phys. Lett., 369(2003)75-79.

• J. Cioslowski, J. Cz. Dobrowolski, Structural Dependence of Thermodynamic Stability of Unbranched Catacondensed Benzenoid Hydrocarbons, Chem. Phys. Lett., 371(2003)317-320.

• 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.

• M. E. Jamróz, S. Gałka, J. Cz. Dobrowolski, On Dicyclopentadiene Isomers, J. Mol. Struct. (Theochem), 634(2003)225-233.

• J. E. Rode, J. Cz. Dobrowolski, Density functional IR, Raman, and VCD spectra of halogen substituted ß-lactams, J. Mol. Struct., 651-653(2003)705-717.

• J. Cz. Dobrowolski, Węzły i sploty DNA, Polimery 48(2003)3-15.

• J. Cz. Dobrowolski, A. P. Mazurek, Model Carbyne Knots vs. Ideal Knots, J. Chem. Inf. Comp. Sci., 43(2003)861-869.

• J. Cz. Dobrowolski, On the Classification of Topological Isomers: Knots, Links, Rotaxanes, etc., Croat. Chem. Acta., 76(2003)145-152.

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