Modeling Molecules Using Computational Chemistry

Basic information

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.

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Roger DeKock

Roger DeKock

Professor Emeritus
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