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           COLLOQUIUM OF THE COMPUTATIONAL MATERIALS SCIENCE CENTER
                             College of Science
                      (CDS Department CSI 898-Sec 001)
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       Metal Ions and Metal-Organic Complexes in Solution

                       Orkid Coskuner
          Physical and Chemical Properties Division,
National Institute of Standards and Technology, Gaithersburg, MD
                            and
       SSRL/EMSI, Stanford University, Palo Alto,CA

The chemistry of solutions of metal ions and their complexes with
organic species are of fundamental interest and have practical implications
in diverse fields such as materials science, biochemistry, environmental
chemistry, geochemistry, and medicine. In particular, these systems play
a central role in acid-base chemistry and in determining chemical reactivity.
Theoretical tools such as first principles calculations, ab initio
molecular dynamics (AIMD) and classical molecular dynamics (MD) simulations,
and experimental techniques such as x-ray absorption (XAS) and infrared (IR)
spectroscopies, allow examination of the structural properties of metal-
organic complexes and the dynamical properties of metal ions and their complexes
 in solution. Both of these topics will be considered in this talk.


                           April 2, 4:30 pm
                   Room 301, Research I, Fairfax Campus


Refreshments will be served at 4:15 PM.
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Find the schedule at http://www.cmasc.gmu.edu/seminar/schedule.html
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