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 Title: Incorporation of a rovibrational analysis of oc-h2o into 6-d morphed potentials of the complex Author(s): Rivera-Rivera, Luis A. Contributor(s): Coudert, L. H.; Bevan, John W.; Lucchese, Robert R.; Leonov, Igor I.; McElmurry, Blake A.; Springer, Sean D. Subject(s): Theory and Computation Abstract: Rovibrational transitions associated with tunneling states in the water bending vibration in OC-H$_2$O and other available spectroscopic data are included in generation of 6-D morphed potentials of the complex. Six-dimension \textit{ab initio} interaction potentials are initially calculated for the complex to provided the initial functions for the potential morphing. The available spectroscopic data is then used to fit and generate 6-D morphed potentials. Previous prediction of the \textit{D}$_0$ of the complex will be incorporated in the analysis. Finally, intermolecular frequencies of the complex will be predicted using the 6-D morphed potentials involving the CO stretching and the H$_2$O bending vibrations. Issue Date: 2016-06-21 Publisher: International Symposium on Molecular Spectroscopy Genre: Conference Paper/Presentation Type: Text Language: En URI: http://hdl.handle.net/2142/91272 Rights Information: Copyright 2016 by the authors Date Available in IDEALS: 2016-08-22
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