Subject: Pitt_Mod_Group_Meeting

From: [email-masked] (Rick Ross)
Date: Wed, 1 May 96 15:01:58 PDT

Pittsburgh Molecular Modeling Group
Spring 1996 Meeting
May 24, 1996
Room 135, Department of Chemistry
Chevron Science Center
University of Pittsburgh
Pittsburgh, PA

All Interested Folks Welcome for All or Part

Agenda:
9:15-9:45 Informal Discussion
9:45-9:50 Welcome - Dr. Richard B. Ross - PPG Industries, Inc.
9:50-10:25            
Prof. Kenneth Jordan (U. of Pitt.) Ab Initio and Force Field
   Simulations of Water Clusters (with M. Pedulla)
10:25-11:00
Prof. Janet Del Bene (Youngstown St. U.) Tracking Down the Elusive
   Proton in Hydrogen Bonded Complexes
11:00-11:35
Prof. David Ewing (John Carrol U.) Quantum Chemical Modeling of the 
   Interaction of Perfluorethers with Aluminum Surfaces (with S. Slaby)
11:35-12:45 Lunch Break
12:45-1:20
Prof. Craig Wilcox (U. of Pitt.) Experiments on Polar Group Effects
   in Binding and Reactivity
1:20-1:55
Mr. Brian Lynton (U. of Pitt.) Synthetic Approaches to the Design of 
   Artificial Receptors
1:55-2:40
Dr. Michael Doyle (Molecular Simulations, Inc.) Molecular Modeling -
   An Historical Perspective and Future Directions
2:40-3:00 Break
3:00-3:50 
Dr. George Famini (U.S. Army Edgewood Research, Development and 
   Engineering Center) Using Molecular Orbital Based Parameters to 
   Predict Properties
3:50-4:30
Dr. Michael Doyle (Molecular Simulations, Inc.) Structure Activity
   and Atomistic Modeling of Corrosion Inhibitors
4:30-6:00 
Informal Discussion/Molecular Modeling Demonstrations

Hosted by Professor Kenneth Jordan (U. of Pittsburgh) and 
   Dr. Richard B. Ross (PPG Industries, Inc.)  

To reserve a seat in advance or for more information send email to 
Dr. Richard B. Ross at [email-masked] or call 412-492-5359.