Thursday, 3 November 2005: 8:30 AM-11:45 AM | |||
Cockrell (Peabody Hotel) | |||
Computational Chemistry (COMP) | |||
Computational Chemistry - General Papers I | |||
| Organizer: | Henry Kurtz | ||
| Presider: | Henry Kurtz | ||
| 8:30 AM | 245 | Computation of Through-Space NMR Shielding Effects by Functional Groups Common to Peptides Ned H. Martin, David M. Loveless, Kristin L. Main, Amy K. Pyles | |
| 8:50 AM | 246 | In Search of the Correct Protein Conformation Using a New Geometry Optimization Method Timothy H. Click, Zunnan Huang, Ralph A. Wheeler | |
| 9:10 AM | 247 | MCSCF Calculations of the Isomerizations of Small Cyclic Hydrocarbons Containing trans Double Bonds Steven R. Davis | |
| 9:30 AM | 248 | Computational Studies of Small Strained Hydrocarbon Isomerizations Zhendong Zhao, Steven R. Davis | |
| 9:50 AM | 249 | Ab initio Quantum Chemistry Calculations on the Stability and Geometry of Dimethylcyclobutadiene Benjamin Saylor, Scott J. Kirkby | |
| 10:10 AM | Break | ||
| 10:25 AM | 250 | Computational Studies of the Structure and Stability of p53 Tetramerization Domain ThuZar W. Lwin, Jason Durant, Don Bashford | |
| 10:45 AM | 251 | Non-equilibrium Modeling of Proton Transport in the Bacteriorhodopsin Photocycle Antonio Mario Ferreira, Don Bashford | |
| 11:05 AM | 252 | Structures, Stabilities and Electronic Structure of Endohedral and Exohedral Cage Complexes of T10-POSS, Si10O15H10 Delwar Hossain, C. U. Pittman Jr., Svein Saebo, Frank Hagelberg | |
| 11:25 AM | 253 | Scaling of GAMESS Quantum Chemistry Calculations on a Small COTS Cluster Scott J. Kirkby | |
Back to The 57th Southeast/61st Southwest Regional Meeting (November 1-4, 2005)