Date	Speaker	Title	Group
November 4, 1999	Patton Fast fastx001@gold.tc.umn.edu	Multilevel Techniques for Calculating Electronic Energies	Truhlar
November 11, 1999	Denise Fiacco fiac0001@tc.umn.edu	Work in Progress: Microwave Spectra of Sulfuric Acid-Water (H2O-H2SO4)	K. Leopold
January 20, 2000	Mike Hack hack@t1.chem.umn.edu	Semiclassical Trajectory Calculations	Truhlar
January 27, 2000	Dr. Anguang Hu ahu@chem.umn.edu	Density-functional Electronic Structure Calculations	York
February 3, 2000	Ahren Jasper jasper@t1.chem.umn.edu	Novel Semiclassical Trajectory Algorithms	Truhlar
February 17, 2000	Bill Johnson wtgj@sp.msi.umn.edu	Didehydrophenols: Predicted Geometries and Energetics	Cramer
February 24, 2000	Jill Johnson jjohnson@chem.umn.edu	QM/MM Methods to Study Enzyme Catalysis	York
March 2, 2000	Tiqing Liu liu-t@t1.chem.umn.edu	A Tight Binding Model for the Energetics of Hydrocarbon Fragments on Metal Surfaces	Truhlar
March 9, 2000	Bing Luo luox0026@tc.umn.edu	Amido, Azido and Hydrazido Gallanes: Potential Precursors to Gallium Nitride	Gladfelter
March 16, 2000	Ben Lynch lynch@chem.umn.edu	MPW1K: A New Hybrid-DFT Method for Kinetics	Truhlar
April 6, 2000	Shawn McGrane mcgra023@tc.umn.edu	Trapped Electrons in Nonpolar Glasses	Lipsky
April 13, 2000	Dr. Yirong Mo ymo@chem.umn.edu	BLW-ED: An Energy Decomposition Scheme to Explore the Nature of Intermolecular Interaction	Gao
April 20, 2000	Maria Nagan nagan@pollux.chem.umn.edu	Molecular Dynamics Studies of RNA Recognition	Cramer
May 11, 2000	Hanfu Wang wang0321@tc.umn.edu	Photo-induced Electron Transfer to Molecular Quantum Structures on Metal Surfaces	Zhu
September 14, 2000	Dr. Jeff Potoff potoff@chem.umn.edu	Histogram-reweighting Monte Carlo Simulation of Thin Film Phase Behavior	Siepmann
September 21, 2000	Ramkumar Rajamani rajam005@tc.umn.edu	Opsin shift in Bateriorhodopsin: A MD/CI approach	Gao
September 28, 2000	Kevin Range range006@tc.umn.edu	Recent Developments Towards a New Generation DFT-based Many-body Molecular Simulation Force Field	York
October 5, 2000	John Stubbs stubbs@chem.umn.edu	Monte Carlo Simulations of 1-hexanol in n-hexane: The formation of hydrogen-bonded clusters in n-hexane rich solution	Siepmann
October 12, 2000	Collin Wick wick@chem.umn.edu	Monte Carlo Simulations of Chromatographic Systems	Siepmann
October 19, 2000	Paul Winget winget@pollux.chem.umn.edu	Modeling everything under the sun: Environmental Computational Chemistry	Cramer
October 26, 2000	Dr. James Xidos xidos@chem.umn.edu	The SM5.42 Universal Quantum Mechanical Continuum Solvation Model	Cramer /Truhlar
November 2, 2000	Ling Zhang zhan0234@tc.umn.edu	Monte Carlo simulation on hydrocarbon and fluorocarbon solutions	Siepmann
November 9, 2000	Dr. Titus Albu albu@comp.chem.umn.edu	Multi-Configuration Molecular Mechanics: An affordable method for potential energy surfaces and rate constants	Truhlar
November 16, 2000	Dr. Cristobal Alhambra alhambra@chem.umn.edu	Molecular Dynamics of Hydride Transfer in the Active Site of an Alcohol Dehydrogenase	Gao
December 7, 2000	Bin Chen binchen@chem.umn.edu	Monte Carlo Studies of Octanol-Water Partitioning	Siepmann