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Energy switching potential energy surfaces and spectra of the van der Waals mod...
Varandas, A. J. C.; Rodrigues, S. P. J.; Gomes, P. A. J.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 ...
Data: 1998
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Origem: Estudo Geral - Universidade de Coimbra
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