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Accurate theoretical near-equilibrium potential energy and dipole moment surfaces of HgClO and HgBrO

✍ Scribed by Balabanov, Nikolai B.; Peterson, Kirk A.


Book ID
118261018
Publisher
American Institute of Physics
Year
2004
Tongue
English
Weight
317 KB
Volume
120
Category
Article
ISSN
0021-9606

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A theoretical study of the spectroscopy of HOBr and its deuterated isotopomer is presented. Highly accurate ab initio potential energy and dipole moment surfaces have been determined at the multireference configuration interaction level of theory, with large triple-~" quality basis sets. From the an