Cytotoxic activity of substituted chalcones in terms of molecular electronic properties von Kupcewicz, Bogumiła, Jarzęcki, Andrzej A., Małecka, Magdalena, Krajewska, Urszula, Rozalski, Marek

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Factors Affecting the Stability of Platinum(II) Complexes with 1,2,4-Triazolo[1,5- a ]pyrimidine Derivatives and Tetrahydrothiophene-1-Oxide or Diphenyl Sulfoxide von Jakubowski, Mateusz, Łakomska, Iwona, Kaszuba, Adriana, Wojtczak, Andrzej, Sitkowski, Jerzy, Jarzęcki, Andrzej A

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Quantum-Mechanical Calculations of Resonance Raman Intensities: The Weighted-Gradient Approximation von Jarzecki, Andrzej A

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Quantum-Mechanical Study of Lead Coordination in Sulfur-Rich Proteins: Mode and Structure Recognition in UV Resonance Raman Spectra von Jarzecki, Andrzej A

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Lead-Poisoned Zinc Fingers:  Quantum Mechanical Exploration of Structure, Coordination, and Electronic Excitations von Jarzecki, Andrzej A

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Structural dependence of Mn complexation by siderophores: Donor group dependence on complex stability and reactivity von Harrington, James M., Parker, Dorothy L., Bargar, John R., Jarzecki, Andrzej A., Tebo, Bradley M., Sposito, Garrison, Duckworth, Owen W.

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DFT Analysis of Fe(H2O)63+ and Fe(H2O)62+ Structure and Vibrations; Implications for Isotope Fractionation von JARZȨCKI, A. A., ANBAR, A. D., SPIRO, T. G.

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Quantum mechanical investigation of aqueous desferrioxamine B metal complexes: Trends in structure, binding, and infrared spectroscopy von Kruft, Bonnie I., Harrington, James M., Duckworth, Owen W., Jarzęcki, Andrzej A.

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Thermal Rearrangements of Norcaradiene von Jarzȩcki, Andrzej A, Gajewski, Joseph, Davidson, Ernest R

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Platinum(II) Complex-Nuclear Localization Sequence Peptide Hybrid for Overcoming Platinum Resistance in Cancer Therapy von Wlodarczyk, Marek T, Dragulska, Sylwia A, Camacho-Vanegas, Olga, Dottino, Peter R, Jarzęcki, Andrzej A, Martignetti, John A, Mieszawska, Aneta J

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Density Functional Theory Insights into the Role of the Methionine–​Tyrosine–​Tryptophan Adduct Radical in the KatG Catalase Reaction: O2 Release from the Oxyheme Intermediate... von Kruft, Bonnie I, Magliozzo, Richard S, Jarzęcki, Andrzej A

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Porphyrin Distortion from Resonance Raman Intensities of Out-of-Plane Modes:  Computation and Modeling of N-Methylmesoporphyrin, a Ferrochelatase Transition State Analog von Jarzȩcki, Andrzej A, Spiro, Thomas G

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Direct Scaling of Primitive Valence Force Constants:  An Alternative Approach to Scaled Quantum Mechanical Force Fields von Baker, Jon, Jarzecki, Andrzej A, Pulay, Peter

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The exceptionally stable cobalt(III)–desferrioxamine B complex von Duckworth, Owen W., Bargar, John R., Jarzecki, Andrzej A., Oyerinde, Oyeyemi, Spiro, Thomas G., Sposito, Garrison

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Porphyrin Distortion during Affinity Maturation of a Ferrochelatase Antibody, Monitored by Resonance Raman Spectroscopy von Venkateshrao, Swarnalatha, Yin, Jun, Jarzȩcki, Andrzej A, Schultz, Peter G, Spiro, Thomas G

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An Oxyferrous Heme/Protein-based Radical Intermediate Is Catalytically Competent in the Catalase Reaction of Mycobacterium tuberculosis Catalase-Peroxidase (KatG) von Suarez, Javier, Ranguelova, Kalina, Jarzecki, Andrzej A., Manzerova, Julia, Krymov, Vladimir, Zhao, Xiangbo, Yu, Shengwei, Metlitsky, Leonid, Gerfen, Gary J., Magliozzo, Richard S.

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DFT Analysis of Fe(H2O)6 3+ and Fe(H2O)6 2+ Structure and Vibrations; Implications for Isotope Fractionation von Jarzȩcki, A. A, Anbar, A. D, Spiro, T. G

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Specific Function of the Met-Tyr-Trp Adduct Radical and Residues Arg-418 and Asp-137 in the Atypical Catalase Reaction of Catalase-Peroxidase KatG von Zhao, Xiangbo, Khajo, Abdelahad, Jarrett, Sanchez, Suarez, Javier, Levitsky, Yan, Burger, Richard M., Jarzecki, Andrzej A., Magliozzo, Richard S.

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Does Unrestricted Møller−Plesset Perturbation Theory for Low Spin Converge When the System Has a Triplet Ground State? von Jarzȩcki, Andrzej A, Davidson, Ernest R

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Experimental and theoretical investigation of the complexation of 5-methyl-7-isobutyl-1,2,4-triazolo[1,5-a]pyrimidine with platinum( ii ) ions von Łakomska, Iwona, Babinska, Magdalena, Wojtczak, Andrzej, Kozakiewicz, Anna, Sitkowski, Jerzy, Jarzęcki, Andrzej A.

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