Computational Chemistry at the Interface: Schedule

Schedule

Monday afternoon, June 3, 2002  
Computational Chemistry of Nanostructured Materials  
Session chair: Alon McCormick  
2:00-5:30 pm
 
 
to be announced  

Tuesday morning, June 4, 2002  
Interface of Computational and Environmental Chemistry  
Session chair: Christopher Cramer  
8:30 am -noon  

08:30 - 08:55 Professor Judith Perlinger
Civil & Environmental Engineering Dept.
Michigan Technical University
1400 Townsend Dr.
Houghton, MI 49931 USA
phone: (906) 487 3641, fax:(906) 487 2943
Email: jperl@mtu.edu
http://www.civil.mtu.edu/~jperl/
Transformations of Halogenated Organic Chemicals in Reducing Environments
   
08:55 - 09:20 Professor Eric Patterson
Science Division
Truman State University
100 East Normal
Kirksville, MO 63501-4221
Tel: (660) 785-4621
Email: epatters@truman.edu
http://www2.truman.edu/~epatters/
Probing the Fate of Chlorinated Ground-Water Contaminants via Computational Chemistry
   
09:20 -09:45 Professor William Arnold
Department of Civil Engineering
University of Minnesota
Minneapolis, MN 55455
Houghton, MI 49931 USA
Tel: 5-8582, fax: 6-7750
Email: arnol032@umn.edu
http://www.ce.umn.edu/people/faculty/arnold/
A Computational Chemistry Study of 1,1,2,2-Tetrachloroethane
Reduction
   
09:45 - 10:00 Coffee Break
   
10:00 - 10;25 Professor Paul Tratnyek
Department of Environmental Science and Engineering
Oregon Health & Science University
20000 NW Walker Rd.
Beaverton, OR 97006
Tel: 5-8582, fax: 6-7750
Email: tratnyek@ese.ogi.edu
http://www.ese.ogi.edu/tratnyek
Correlation Analysis of Kinetic Data for Contaminant Degradation in the Environment: Balancing Prognostic and Diagnostic Applications
   
10:25 - 10:50 Professor Olaf Wiest
Department of Chemistry and Biochemistry
University of Notre Dame
20000 NW Walker Rd.
Notre Dame IN 46556-5670
Phone: (219) 631 5876, Fax: (219) 631 6652
Email: wiest.1@nd.edu
http://www.nd.edu/~owiest
Breakdown of 2,4-D by OH radicals: Computations and Experiments
   
10:50 - 11:15 Professor Phil Gschwend
Department of Civil and Environmental Engineering
Massachusetts Institute of Technology
77 Massachusetts Ave.
Cambridge, MA 02139
Tel: (617) 253-1638
Email: pmgschwe@mit.edu
http://web.mit.edu/civenv/html/people/faculty/gschwend.html
Anticipating Biodegradation Rates in the Environment: Can We Use Probe Compounds and Computational Chemistry to Estimate Useful Rates?
   
11:15 -12:00 Panel Discussion
   

Tuesday afternoon, June 4, 2002  
Computational Chemical Biology  
Session chair: Jiali Gao  
2:00-5:30 pm  

Speakers (partial list) :
Qiang Cui (Wisconsin)
Sharon Hammes-Schiffer (Penn State)
Ron Elber (Cornell)