Modeling Molecules Using Computational Chemistry

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We model molecules using computational chemistry.

We model molecules using the tools of computational chemistry. Some of our chemical projects are:

1) Hydrogen atom migration in organometallic complexes. 

2) Relative energy of molecular and ionic forms of NH3(H2O)7

3) We are examining methods to extract "effective" nuclear charges from atomic ionization energies.


Roger DeKock

Roger DeKock

Professor Emeritus
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