(Salen)Mn(III) Compound as a Nonpeptidyl Mimic of Catalase:  DFT Study of the Metal Oxidation by a Peroxide Molecule von Abashkin, Yuri G, Burt, Stanley K

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(Salen)Mn-Catalyzed Epoxidation of Alkenes:  A Two-Zone Process with Different Spin-State Channels as Suggested by DFT Study von Abashkin, Yuri G, Burt, Stanley K

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(Salen)Mn(III)-Catalyzed Epoxidation Reaction as a Multichannel Process with Different Spin States. Electronic Tuning of Asymmetric Catalysis:  A Theoretical Study von Abashkin, Yuri G, Collins, Jack R, Burt, Stanley K

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Quantum Chemical Modeling of Reaction Mechanism for 2-Oxoglutarate Dependent Enzymes:  Effect of Substitution of Iron by Nickel and Cobalt von Topol, Igor A., Nemukhin, Alexander V., Salnikow, Konstantin, Cachau, Raul E., Abashkin, Yuri G., Kasprzak, Kazimierz S., Burt, Stanley K.

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Quantum Chemical Investigation of Enzymatic Activity in DNA Polymerase β. A Mechanistic Study von Abashkin, Yuri G, Erickson, John W, Burt, Stanley K

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(salen)MnIII Compounds as Nonpeptidyl Mimics of Catalase. Mechanism-Based Tuning of Catalase Activity:  A Theoretical Study von Abashkin, Yuri G., Burt, Stanley K.

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Density Functional Study of the Mechanisms and the Potential Energy Surfaces of MCH2 + + H2 Reactions. The Case of Cobalt and Rhodium (M = Co, Rh) von Abashkin, Yuri G, Burt, Stanley K, Russo, Nino

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(salen)Mn III Compounds as Nonpeptidyl Mimics of Catalase. Mechanism-Based Tuning of Catalase Activity:  A Theoretical Study von Abashkin, Yuri G., Burt, Stanley K.

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Computational studies of the domain movement and the catalytic mechanism of thymidine phosphorylase von Rick, Steven W., Abashkin, Yuri G., Hilderbrandt, Richard L., Burt, Stanley K.

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Density Functional Study of the Mechanisms and the Potential Energy Surfaces of MCH 2 + + H 2 Reactions. The Case of Cobalt and Rhodium (M = Co, Rh) von Abashkin, Yuri G., Burt, Stanley K., Russo, Nino

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