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Physical Chemistry Seminar Schedule
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Winter 2008
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Wednesdays at 3:00 pm in 2009 Science Hall (unless noted otherwise)
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Jan. 16
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Barbara Munk, Chemistry, Wayne State U. "Molecular Orbital Studies of Reactions and Rearrangments of 8-Oxo-Guanine"
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Jan. 22*
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Troy Wymore, Pittsburgh Supercomputing Center "Aldehyde Dehydrogenase Enzymatic Chemistry: A Mechanistic Hypothesis for the Basis of Two Metabolic Diseases"
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Jan. 23
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Hao Li, Chemistry, Wayne State U. "Optical Spectra Calculation of Branched Conjugated Molecules Using Exciton Scattering Approach"
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Jan. 30
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Chao Wu, Chemistry, Wayne State U. "Electronic Excitation in Branched Conjugated Molecules Using Exciton Scattering Approach"
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Feb. 6
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Achani Yatawara, Chemistry, Wayne State U. "Chemical Reactivity and Orientational Dynamics at Surfaces"
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Feb. 13
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Nuradika Herath, Chemistry, Wayne State U. "Evidence for roaming in acetone dissociation", Armando Estillore, Chemistry, Wayne State U. "Reduced Doppler probe of HCCO radical dissociation dynamics"
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Feb. 20**
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Bernard Brooks, Computational Biology, NIH "Multi-scale Methods for Macromolecular Systems in Computational Biophysics"
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Feb. 27
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Robert Gordon, Chemistry, U. Illinois at Chicago "Using Ultrashort Laser Pulses to Control the Phase Transitions of Materials"
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Mar. 5**
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Jiali Gao, Chemistry, U. Minnesota "Mechanisms, reaction coordinates and free energies of enzymatic reactions"
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Mar. 18*
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Sharon Hammes-Schiffer, Chemistry, Penn. State U. "Hydrogen Tunneling and Protein Motion in Enzyme Reactions"
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Mar. 19
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Sharon Hammes-Schiffer, Chemistry, Penn. State U. "Nuclear-Electronic Orbital Approach: Including Nuclear Quantum Effects in Electronic Structure Calculations"
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Mar. 26
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Jason Sonk, Chemistry, Wayne State U. "Computational Chemistry inside Carbon Nanotubes" Jia Zhou, Chemistry, Wayne State U. "Characterization of Some Diactinocenes and Molecular Dynamics of Some Unimolecular Dissociations"
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Apr. 1*
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Richard Friesner, Chemistry, Columbia U. "Computational Modeling of Protein Active Site Chemistry Using Density Functional Theory and Mixed QM/MM Methods"
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Apr. 2
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Richard Friesner, Chemistry, Columbia U. "TBA"
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Apr. 16
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Joel Bowman, Chemistry, Emory U. "Reactions that By-pass the Conventional Transition State"
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Apr. 23
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Champika Weeraman, Chemistry, Wayne State U. "Coherent Nonlinear Spectrosopy of Nanostructured Surfaces and Ultrafast Hydrogen Bond Dynamics"
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Apr. 30**
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Weitao Yang, Chemistry, Duke University, "Free Energies of Chemical Reactions in Solution and in Enzymes with Ab Initio Quantum Mechanics / Molecular Mechanics Methods"
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* Computational Enzymology seminar, presented on Tuesday, 12 noon, 4370 Scott Hall, WSU Medical School
** Computational Enzymology seminar, presented on Wednesday at 3pm in 2009 Science Hall as a part of the Physical Chemistry seminar series.
Refreshments will be served at 2:45pm, prior to the seminar
Further information can be obtained from H. B. Schlegel, Dept of Chemistry, Wayne State University, , (313) 577-2562.
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