Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/10407
Title: Single-Valued Double Many-Body Expansion Potential Energy Surface of Ground-State SO2
Authors: Rodrigues, S. P. J. 
Sabín, J. A. 
Varandas, A. J. C. 
Issue Date: 24-Jan-2002
Publisher: American Chemical Society
Citation: The Journal of Physical Chemistry A. 106:3 (2002) 556-562
Abstract: An accurate single-valued double many-body expansion potential energy surface has been obtained for the ground electronic state of the sulfur dioxide molecule (SO2) by fitting novel ab initio energies suitably corrected by scaling its correlation energy. The stationary points of the new surface have been exhaustively analyzed, and the quality of the fit was appreciated from the stratified root-mean-square deviations between the points and the analytical potential.
URI: http://hdl.handle.net/10316/10407
ISSN: 1089-5639
DOI: 10.1021/jp013482p
Rights: openAccess
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais

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