| Friday, 3 November 2006: 9:00 AM-12:00 PM | |||
| Estes B (Augusta Marriott Hotel and Suites) | |||
| Physical Chemistry (20) | |||
| Physical chemistry general papers II (PHYS) | |||
| Organizer: | Eric Zuckerman | ||
| Presider: | Eric Zuckerman | ||
| 9:00 AM | 528 | Hydrogen bonding interactions of pyridine▪+ with water: stepwise solvation of distonic cations Ridha Mabrouki, Yehia M. Ibrahim, Enli Xie, Samy El-Shall | |
| 9:25 AM | 529 | The low barrier double-well potential of the Od1-H-Od1 hydrogen bond in unbound HIV protease: a QM/MM characterization Pablo A. Molina, Melissa A. Porter | |
| 9:50 AM | 530 | Theoretical study on the kinetics for the OH + HNCN reaction Shucheng Xu, M.C. Lin | |
| 10:15 AM | Break | ||
| 10:30 AM | 531 | Gas phase reactions of Au+ with CO, O2 and H2O molecules: unusual affinity of gold ions for water molecules Keith E. Dias, Khaled Saoud, Paul O. Momoh, M. Samy El-Shall | |
| 10:55 AM | 532 | Classical description of molecular electronic structure Stephen K. Knudson | |
| 11:20 AM | 533 | Systematic errors in computed alkane energies using B3LYP and other popular DFT functionals Matthew D. Wodrich, Clémence Corminboeuf, Paul v. R. Schleyer | |
Back to The 58th Southeast Regional Meeting (November 1-4, 2006)