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Potential energy and dipole moment surfaces of H[sub 3][sup −] molecule

✍ Scribed by Ayouz, M.; Dulieu, O.; Guérout, R.; Robert, J.; Kokoouline, V.


Book ID
119950977
Publisher
American Institute of Physics
Year
2010
Tongue
English
Weight
539 KB
Volume
132
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