Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/5274
Title: Energy switching potential energy surfaces and spectra of the van der Waals modes for the ArHCN molecule
Authors: Varandas, A. J. C. 
Rodrigues, S. P. J. 
Gomes, P. A. J. 
Issue Date: 1998
Citation: Chemical Physics Letters. 297:5-6 (1998) 458-466
Abstract: We report fully six-dimensional potential surfaces for ArHCN by using the energy switching method. They are valid for all energy regimes and hence suitable for studying the dynamics of a wealth of processes, ranging from the dissociative reaction Ar+HCN --> Ar+H+CN to the rovibrational spectroscopy of the ArHCN van der Waals molecule. Calculations of rovibrational energies with J=0 through J=6 arising from j=0 to j=1 levels of HCN are also presented.
URI: http://hdl.handle.net/10316/5274
DOI: 10.1016/S0009-2614(98)01159-2
Rights: openAccess
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais

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