[Blueboard] Prof. Keiji Morokuma lecture, Nov 27, 4:30pm

Dr. Fabian M. Dayrit fdayrit at ateneo.edu
Mon Nov 23 09:49:29 PHT 2009


please post.
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You are invited to attend the Prof. Keiji Morokuma's lecture entitled:

"Exciting World of Theoretical Studies of Chemical Reactions ? From Gas
Phase Reactions to Nano Structures, Catalysts, and Enzymatic Reactions"

Friday, November 27, 4:30-6:00pm
SEC C lecture hall

--
Abstract
"Exciting World of Theoretical Studies of Chemical Reactions ? From Gas
Phase Reactions to Nano Structures, Catalysts, and Enzymatic Reactions"

Keiji Morokuma
Fukui Institute for Fundamental Chemistry, Kyoto University, Kyoto


The chemical reaction which creates, destroys, reorganizes chemical  
bonds to produce new compounds is the most important subject of  
chemistry. I have been absorbed by this fascinating world of chemistry  
from the beginning of my career almost fifty years ago, when a  
hand-powered calculator was used to solve Hückel secular equations for  
frontier electron densities of simple aromatic hydrocarbons.  
Theoretical/computational studies have come a long way and are now  
playing the central role in understanding the mechanism and dynamics  
of chemical reactions and in helping designing more useful chemical  
reactions and catalysts. The theory can study not only the reaction of  
the ground state of molecules in gas phase but also reactions of  
excited electronic states as well complicated reactions of complex  
molecular systems. The information theoretical/computational studies  
can provide is often complementary to the information experimental  
studies provide, and research on chemical reactions is becoming  
impossible without strong collaboration between theorists and  
experimentalists.

I will discuss a few recent examples of our own  
theoretical/computational studies on A. gas phase photochemical and  
ion-molecule reactions of small molecules and ions; B. self-assembly  
reactions of small carbon clusters to form fullerenes and carbon  
nanotubes; C. homogeneous catalysis, and D. reactions of  
metalloenzymes and the effects of protein environment.




-- 
Dr. Fabian M. Dayrit
Dean, School of Science & Engineering
Professor, Department of Chemistry
Ateneo de Manila University
Loyola Heights
1108 Quezon City, Philippines

Mailing address:
P.O. Box 154, Manila Central Post Office
0917 Manila, Philippines


Tel: (632) 426-6001 ext 5600
Fax: (632) 426-5985
Email: fdayrit at ateneo.edu



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