PHYSMonday, 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 PMGlobal 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 PMReliable 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 PMToward complete spectroscopy of small molecules
Attila G Császár, Jonathan Tennyson, Viktor Szalay
3:20 PMIntermission
3:40 PMThe role of vibrations in the conformational identification of water cluster landscapes
Joseph S. Francisco
4:20 PMImproving 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