SETCA 2017
Special thanks to our sponsors:
- University of Memphis
- College of Arts and Sciences
- Department of Chemistry
- CROMIUM (Computational Research on Materials Institute at University of Memphis)
- University of Mississippi
- College of Liberal Arts
- Department of Chemistry and Biochemistry
- Office of Research and Sponsored Programs
- MCSR (Mississippi Center for Supercomputing Research)
- Microway, Inc.
- American Chemical Society
IL: Invited Lecture; CL: Contributed Lecture
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| 2017 | ||
| Thursday, May 18th | ||
| 5:00 PM |
Conference Attendees Coulter Hall Lobby 5:00 PM - 7:00 PM |
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|---|---|---|
| Friday, May 19th | ||
| 7:15 AM |
Conference Attendees Coulter Hall, Room 211 7:15 AM - 10:00 AM |
|
| 8:00 AM |
Gregory S. Tschumper, University of Mississippi Coulter Hall, Room 211 8:00 AM |
|
| 8:10 AM |
IL1. Quantum Chemistry without Wavefunctions A. Eugene DePrince III, Florida State University Coulter Hall, Room 211 8:10 AM |
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| 8:40 AM |
CL1. New primitive Gaussians based on per electron energy convergence criteria Daniel Claudino, University of Florida Coulter Hall, Room 211 8:40 AM |
|
| 9:00 AM |
IL2. Tools for the Computational Design of Asymmetric Catalysts Steven E. Wheeler, University of Georgia Coulter Hall, Room 211 9:00 AM |
|
| 9:30 AM |
Coffee Break: Snacks and Refreshments Provided Conference Attendees Coulter Hall, Room 211 9:30 AM |
|
| 9:50 AM |
Francesco A. Evangelista, Emory University Coulter Hall, Room 211 9:50 AM - 9:50 AM |
|
| 10:20 AM |
Dominic A. Sirianni, Georgia Institute of Technology Coulter Hall, Room 211 10:20 AM |
|
| 10:40 AM |
IL4. The Molecular Science Software Institute T. Daniel Crawford, Virginia Polytechnic and State University Coulter Hall, Room 211 10:40 AM |
|
| 11:20 AM |
Conference Attendees Coulter Hall, Room 211 11:20 AM |
|
| 1:00 PM |
IL5. Interactions of CO₂ with metal organic frameworks and metal oxide nanoclusters David A. Dixon, University of Alabama 1:00 PM - 1:00 PM |
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| 1:30 PM |
Sara Isbill, University of Tennessee Coulter Hall, Room 211 1:30 PM |
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| 1:50 PM |
IL6. Two-step model of ultrafast interfacial electron transfer in dye-semiconductor assemblies Elena Jakubikova, North Carolina State University Coulter Hall, Room 211 1:50 PM |
|
| 2:20 PM |
Coffee Break: Snacks and Refreshments Provided Conference Attendees Coulter Hall, Room 211 2:20 PM |
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| 2:40 PM |
IL7. Theoretical studies of phosphoryl transfer enzymes Charles Edwin Webster, Mississippi State University Coulter Hall, Room 211 2:40 PM |
|
| 3:10 PM |
CL4. CAM-LDA0: The Reincarnation of the Local Density Approximation Carlos H. Borca, Purdue University Coulter Hall, Room 211 3:10 PM |
|
| 3:30 PM |
Shelley A. Smith, Mississippi College Coulter Hall, Room 211 3:30 PM |
|
| 4:00 PM |
IL9. Thermochemistry: Not as Boring as You Might Think John F. Stanton, University of Florida Coulter Hall, Room 211 4:00 PM - 4:30 PM |
|
| 5:15 PM |
Nathan J. DeYonker, University of Memphis Coulter Hall, Room 211 5:15 PM |
|
| 7:00 PM |
Banquet -- Speaker: Elfi Kraka Elfi Kraka, Southern Methodist University Coulter Hall, Room 211 7:00 PM |
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| Saturday, May 20th | ||
| 7:30 AM |
Conference Attendees Inn at Ole Miss: Ford Ballroom 7:30 AM |
|
| 8:00 AM |
IL10. An economical theory for chemical bonding Evangelos Miliordos, Auburn University Inn at Ole Miss: Ford Ballroom 8:00 AM |
|
| 8:30 AM |
CL5. Excited State Transition Energies and Properties in Solution from a Smooth Dielectric Model J. Coleman Howard, Virginia Polytechnic and State University Coulter Hall, Room 211 8:30 AM |
|
| 8:50 AM |
CL6. Folding Mechanisms of Small Proteins GB1 and LB1 Qianyi Cheng, University of Memphis Coulter Hall, Room 211 8:50 AM |
|
| 9:10 AM |
IL11. A Direct Measure of Metal-Ligand Bonding Replacing the Tolman Electronic Parameter Elfi Kraka, Southern Methodist University Coulter Hall, Room 211 9:10 AM |
|
| 9:40 AM |
Coffee Break: Snacks and Refreshments Provided Conference Attendees Coulter Hall, Room 211 9:40 AM |
|
| 10:00 AM |
IL12. Density Functional Theory Method for Nondynamic/Strong Correlation Jing Kong, Middle Tennessee State University Coulter Hall, Room 211 10:00 AM |
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| 10:30 AM |
Thomas Sommerfeld, Southeastern Louisiana University Coulter Hall, Room 211 10:30 AM - 10:00 AM |
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| 10:50 AM |
CL8. Can We Find Interstellar Nitrogen in Exotic Molecules? Ryan C. Fortenberry, Georgia Southern University Coulter Hall, Room 211 10:50 AM |
|
| 11:10 AM |
IL13. Proton-Bound Complexes: A Major Challenge for Vibrational Analysis Joel Bowman, Emory University Coulter Hall, Room 211 11:10 AM |
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| 11:40 AM |
IL14. Core-Hole Initiated Charge Migration with TDDFT Kenneth Lopata, Louisiana State University Coulter Hall, Room 211 11:40 AM |
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| 12:10 PM |
Conference Attendees Coulter Hall, Room 211 12:10 PM |
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| 12:30 PM |
Conference Attendees Coulter Hall, Room 211 12:30 PM |
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