Abstracts & Presentations - 2016 International Symposium on Molecular Spectroscopy

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  • Marin, Timothy W. (International Symposium on Molecular Spectroscopy, 2016-06-24)
    We report vacuum ultraviolet absorption spectra for the lowest-lying electronic state of high-temperature and supercritical water, where spectra were measured from room temperature up to the critical temperature, and as a ...

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  • Janik, Ireneusz (International Symposium on Molecular Spectroscopy, 2016-06-20)
    The reductive conversion of CO$_{2}$ into industrial products (e.g., oxalic acid, formic acid, and methanol) can occur via aqueous CO$_{2}$$^{-}$ as a transient intermediate. While the formation, structure and reaction ...

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  • Vazquez, Gabriel J. (International Symposium on Molecular Spectroscopy, 2016-06-23)
    We report preliminary ab initio electronic structure calculations of HBr and HBr$^+$. The computations were carried out employing the MRD-CI package, with a basis set of cc-pVQZ quality augmented with s--, p-- and d--type ...

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  • Catikkas, Berna (International Symposium on Molecular Spectroscopy, 2016-06-21)
    In this study, ground states of antimony (Sb$^{v}$) with organic ligands complexes were studied by using density functional theory hybrid methods in order to obtain structural, electronic and vibrational spectral parameters. ...

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  • Mead, Griffin (International Symposium on Molecular Spectroscopy, 2016-06-22)
    Microwave spectroscopy provides a unique opportunity to study model non-covalent interactions. Of particular interest is the hydrogen bonding of water, whose various molecular properties are influenced by both strong and ...

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