Dr. Joanna Rode

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Selected scientific publications from 2001 to 2006 (updated Sept. 26^th, 2006)

• 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.

• 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.

• 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.

• E. Górnicka, J. E. Rode, E. D. Raczyńska, B. Dasiewicz, J. Cz. Dobrowolski, Experimental (FT-IR and Raman) and theoretical (DFT) studies on the vibrational dynamics in cytisine, Vib. Spectry., 36(2004)105-115.

• J. Kłos, M. F. Rode, J. E. Rode, G. Chałasiński, M. M. Szczęśniak, Interactions of Transition Metals with He, Eur. Phys. J. D, 31 (2004) 429-437.

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

• J. E. Rode, J. Cz. Dobrowolski, Chiral Allenes: Theoretical VCD and IR Spectra, J. Mol. Struct. (Theochem), 635(2003)151-159.

• J. E. Rode, J. Cz. Dobrowolski, M. A. Borowiak, A. P. Mazurek, Theoretical Study on Stability and Spectra of Cycloaddition Products: Methylene- -Lactams Isomers, PhysChemChemPhys., 4(2002)3948-3958.

• M. H. Jamróz, J. Cz. Dobrowolski, J. E. Rode, Marek A. Borowiak, Comparison of calculated structural parameters and infrared spectra with experimental data for dimeric dibenzyl carbamic acid, J. Mol. Struct. (Theochem), 618 (2002) 101-108.

• J. Rode, J. Cz. Dobrowolski, Z. Rzączyńska, DFT investigations on conformation and IR spectra of 1,1-dicarboxycyclobutane, J. Mol. Struct.642 (2002) 147-156.

• J. E. Rode, J. Cz. Dobrowolski, Theoretical Studies on the OxetaneˇˇˇHCl and ThietaneˇˇˇHCl Complexes, Chem. Phys. Lett., 360(2002)123-132.

• J. Rzepkowska (Rode), N. Uras, J. Sadlej, V. Buch, Intermolecular Potentials for Ammonia-Aqueous Mixture, J. Phys. Chem. A, 106 (2002) 1790-1796.

• J. E. Rode, J. Cz. Dobrowolski, M. H. Jamróz, M. A. Borowiak,Theoretical Vibrational and NMR Spectra of 1,2- and 1,3-dimethylenecyclobutane Molecules, Vib. Spectrosc., 25(2001)133-149.

• J. E. Rode, J. Cz. Dobrowolski, M. H. Jamróz, M. A. Borowiak,Theoretical Vibrational Spectra of the Diketene, its Isomers, and their Mono- and Disulphur Analogues, J. Mol. Struct., 565-566(2001)433-438.

• J. E. Rode, J. Cz. Dobrowolski, M. A. Borowiak, Theoretical Study on Stability and NMR Spectra of Diketene, its Isomers, and their Mono- and Disulphur Analogues, J. Mol. Struct. (Theochem) 545(2001)233-254.

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