| Monday, April 7, 2008 | |||
12:00 PM-2:30 PM MCC -- Room 255 | |||
Molecular Modeling with Spartan | |||
| Sponsored by: | EXHIBITOR-SPONSOREDWORKSHOP | ||
| Sponsor: Wavefunction, Inc., Booth 1513. 12:00 PM -2:30 PM. This hands-on course provides an introduction to the application of molecular mechanics and quantum chemical methods to determine molecular shape, structure, energies and properties. Topics Include: 1) Description/Examples of common molecular modeling tasks. 2) Applications to describing molecular structure, properties, reactivity and selectivity. 3) Graphical models for the prediction/analysis of properties, reactivity and selectivity. 4)Calculation of Specra (IR, UV/vis and NMR) 5) Performance assessment of molecular mechanics and quantum chemical methods. All Attendees will receive fully functional evaluation versions of Spartan for Windows, Macintosh, or Linux. | |||
Exhibitor-Sponsored Workshop -- Session Listing
The 235th ACS National Meeting, New Orleans, LA, April 6-10, 2008