| PHYS | Monday, 29 August 2005 | ||
1:20 PM-4:40 PM Washington DC Convention Center -- 143A, Oral | |||
Computational Exploration of Energy Landscapes: Challenges and Solutions | |||
| Spectroscopy from Potential Energy Surfaces | |||
| Organizers: | C. David Sherrill Anna I. Krylov | ||
| Presiding: | Piotr Piecuch | ||
| 1:20 PM | 97 | Global ab initio potential energy surfaces using permutational symmetry Joel M. Bowman, Bastiaan J. Braams, Alex Brown, Xinchuan Huang, Zhong Jin, Seung Park, Zhen Xie | |
| 2:00 PM | 98 | Reliable spectroscopic constants for CCH-, NH2- and their isotopomers from an accurate potential energy function Timothy J. Lee, David W. Schwenke, Christopher E. Dateo, Galina M. Chaban | |
| 2:40 PM | 99 | Toward complete spectroscopy of small molecules Attila G Császár, Jonathan Tennyson, Viktor Szalay | |
| 3:20 PM | Intermission | ||
| 3:40 PM | 100 | The role of vibrations in the conformational identification of water cluster landscapes Joseph S. Francisco | |
| 4:20 PM | 101 | Improving semiempirical Hamiltonians for reaction dynamics calculations Diego Troya | |
Previous Session -- Computational Exploration of Energy Landscapes: Challenges and Solutions -- Next Session
Symposium Grid -- Division of Physical Chemistry -- Session Listing
Symposium Grid -- Biotech -- Session Listing
Symposium Grid -- Energy -- Session Listing
Symposium Grid -- Green Chemistry/Pollutants/Sustainability -- Session Listing
The 230th ACS National Meeting, in Washington, DC, Aug 28-Sept 1, 2005