| COMP | Sunday, March 25, 2007 | ||
8:30 AM-12:15 PM Hyatt Regency McCormick -- 12 A, Oral | |||
General Oral: Quantum Chemistry | |||
| Sponsored by: | COMP | ||
| Organizer: | Adrian E. Roitberg | ||
| Presiding: | Gustavo de M. Seabra | ||
| 8:30 AM | 14 | Coupled-cluster and explicitly-correlated perturbation-theory calculations of the uracil anion Maciej S J Gutowski, Rafal Bachorz, Wim Klopper | |
| 9:00 AM | 15 | Ab initio study of the interaction of the phospholipid head-group with representative quartz and aluminosilicate structures James Snyder | |
| 9:30 AM | 16 | Quantum chemistry calculations of the methane dimer potentials Sheng D. Chao, A. H-T. Li | |
| 10:00 AM | 17 | Density functionals for noncovalent interaction energies of biological importance Yan Zhao, Donald G. Truhlar | |
| 10:30 AM | Intermission | ||
| 10:45 AM | 18 | Validation of density functionals, semiempirical methods, and SCC-DFTB for Zn coordination chemistry Elizabeth A. Amin, Donald G. Truhlar | |
| 11:15 AM | 19 | TDDFT studies of 3-hydroxykynurenine and its photoproducts in primate eyes Brendan C Dutmer, Thomas M. Gilbert | |
| 11:45 AM | 20 | Accurate quantum chemical calculations of NMR chemical shifts and application to protein structure refinement Yong Zhang, Eric Oldfield | |
General Oral: Quantum Chemistry -- Next Session
Symposium Grid -- Division of Computers in Chemistry -- Session Listing
The 233rd ACS National Meeting, Chicago, IL, March 25-29, 2007