SCHEDULE: NOV 12-18, 2011

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SESSION: CHEMISTRY: Advanced Molecular Modeling Part I

EVENT TYPE: Education

TIME: 3:30PM - 5:00PM

SESSION CHAIR: Shawn Sendlinger

Presenter(s):Shawn C. Sendlinger, Clyde Metz, Elisabeth T. Bell-Loncella

ROOM:WSCC 201

ABSTRACT:
This session assumes participants have attended a Basic Molecular Modeling session or have experience using WebMO. We will do coordinate scans (changing one parameter while the energy is calculated), spectroscopic (UV-Vis and Infrared), and thermochemical calculations. Software: WebMO accounts at Earlham College and/or the National Center for Supercomputing Applications. Prerequisite: "Basic Molecular Modeling" session or equivalent.

Chair/Presenter Details:

Shawn Sendlinger (Chair) - North Carolina Central University

Shawn C. Sendlinger - North Carolina Central University

Clyde Metz - College of Charleston

Elisabeth T. Bell-Loncella - University of Pittsburgh at Johnstown

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