个人简介

1985 M.S. Jagiellonian University, Krakow Poland 1998 Ph.D. University of Arizona 1994-1996 University of Arkansas, Postdoctoral Research Associate 1996-1999 Princeton University, Research Staff

研究领域

chemistry, Physical Chemistry: Computational Chemistry

The Kozlowski Group is mainly concerned with the application of quantum mechanical principles to problems in molecular structure, dynamics and spectroscopy and with work on quantum-mechanical methods to improve their reliability and physical credibility. The general aim is to obtain a correct quantitative description for important physical and chemical properties of molecules. Our research interest is focused on the application of computational chemistry to solve problems of a bioinorganic nature. Our current projects exploit the capability of modern computational chemistry using density functional theory (DFT); hybrid methods based on DFT and molecular mechanics (MM). We are currently researching the electronic function of Cobalamine (B12) and pi-cation radicals of porphyrin systems. We are also in close collaboration with the University of Louisville's James Graham Brown Cancer Center in the investigation of the structure and biological function of the chemotherapeutic agent bleomycin

近期论文

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Infrared Spectra of Nickel Octaethylporphyrin and Its Isotopomers Computed via Density Functional Theory-Scaled Quantum Mechanical (DFT-SQM) Method Lindy K. Stoll, Marek Z. Zgierski and Pawel M. Kozlowski J. Phys. Chem. A 107, 2003, 4165-4171 FeNO structure in distal pocket mutants of myoglobin based on resonance Raman spectroscopy Candace M. Coyle, Kathleen M. Vogel, Thomas S. Rush, III, Pawel M. Kozlowski, Robert Williams, Thomas G. Spiro, Yi Dou, Masao Ikeda-Saito, John S. Olson and Marek Z. Zgierski Biochemistry 2003, 42, 4896-4903 Synthesis and Characterization of N2S3X-Fe Models of Iron-Containing Nitrile Hydratase C. A. Grapperhaus, Ming Li, Apurba K. Patra, Selma Poturovic, Pawel M. Kozlowski, Marek Z. Zgierski and Mark S. Mashuta Inorg. Chem. 2003, 42, 4382-4388 NO-Bound Myoglobin: Structural Diversity and Dynamics of the NO Ligand Tomasz Zemojtel, Matteo Rini, Karsten Heyne, Thomas Dandekar, Erik T. J. Nibbering and Pawel M. Kozlowski J. Am. Chem. Soc. 2004, 126, 1930-1931 Density Functional Theory and Molecular Mechanics Study of the Relationship between the Structure of Coenzyme B12 and Its Binding to Methylmalonyl-CoA Mutase Marek Freindorf and Pawel M. Kozlowski A Combined J. Am. Chem. Soc. 2004, 126, 1928-1929 Synthesis and Oxygenation of a Nickel(II) and Zinc(II) Dithiolate: An Experimental and Theoretical Comparison Craig A. Grapperhaus, Christopher S. Mullins, Pawel M. Kozlowski and Mark S. Mashuta Inorg. Chem. 2004, 43, 2859-2866 FeNO structure in distal pocket mutants of myoglobin based on resonance Raman spectroscopy. [Erratum to document cited in CA139:032278] Candace M. Coyle, Kathleen M. Vogel, Thomas S. Rush, Pawel M. Kozlowski, Robert Williams, Thomas G. Spiro, Yi Dou, Masao Ikeda-Saito, John S. Olson and Marek Z. Zgierski Biochemistry 2003, 42, 10342 (2003). Theoretical analysis of singlet and triplet excited states of nickel porphyrins Serguei Patchkovskii, Pawel M. Kozlowski and Marek Z. Zgierski J. Chem. Phys. 2004, 121, 1317-1324 Electronic and Steric Influence of Trans Axial Base on the Stereoelectronic Properties of Cobalamins Pawel M. Kozlowski and Marek Z. Zgierski J. Phys. Chem. B 2004, 108, 14163-14170