Quantum Chemistry/Computational Chemistry
B.A. - Bradley University, 1964
Ph.D. - Iowa State University,1969
Office: Ardolf Science Center - Room 241
Email: frioux@csbsju.edu
Phone: 320-363-5385
Fax: 320-363-5582
Last update on August 20, 2008
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| Professor of Chemistry Quantum Chemistry/Computational Chemistry B.A. - Bradley University, 1964 Ph.D. - Iowa State University,1969 Office: Ardolf Science Center - Room 241 Email: frioux@csbsju.edu Phone: 320-363-5385 Fax: 320-363-5582 Last update on August 20, 2008 |
Office Hours and Teaching Schedule - Fall Semester 2008
| Period\Day | 1 | 2 | 3 | 4 | 5 | 6 |
| I | CHEM 123 PENGL 373 |
Office Hour ASC 241 |
CHEM 123 PENGL 373 |
Office Hour ASC 241 |
CHEM 123 PENGL 373 |
Department Meeting |
| II | Office Hour ASC 241 |
Office Hour ASC 241 |
Office Hour ASC 241 |
Office Hour ASC 241 |
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| III | ||||||
| IV | CHEM 123 Lab |
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| V | CHEM 123 Lab |
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| VI | CHEM 123 Lab |
My current research involves ab initio quantum mechanical calculations on titanium cage compounds (azatitanatranes) using the electronic structure programs GAMESS and SPARTAN. This work is being done in collaboration with the theoretical chemistry group at Iowa State University under the direction of Professor Mark S. Gordon.I also have an on-going interest in developing computer exercises that illustrate the relationship between the conceptual framework of quantum chemistry and its computational methodologies. Exercises have been prepared and published in the following areas: numerical integration of Schrodinger's equation in one, two, and three dimensions; applications of variational theorem; the self-consistent field method for atoms and molecules; numerical Huckel calculations; and LCAO-MO methods.
I have enjoyed associations and collaborations with Roger DeKock and Jeffry Madura who have contributed significantly to applying the computer to the teaching of quantum chemistry. You will find samples of their work by clicking on their names.
