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Room temperature line lists for deuterated water.

Authors :
Kyuberis, Aleksandra A.
Zobov, Nikolay F.
Naumenko, Olga V.
Voronin, Boris A.
Polyansky, Oleg L.
Lodi, Lorenzo
Liu, Anwen
Hu, Shui-Ming
Tennyson, Jonathan
Source :
Journal of Quantitative Spectroscopy & Radiative Transfer. Dec2017, Vol. 203, p175-185. 11p.
Publication Year :
2017

Abstract

Line lists are presented for six deuterated isotopologues of water vapor namely HD 16 O, HD 17 O, HD 18 O, D 2 16 O, D 2 17 O and D 2 18 O. These line lists are prepared using empirically-determined energy levels, where available, to provide transition frequencies and high-quality ab initio dipole moment surfaces to provide transition intensities. The reliability of the predicted intensities is tested by computing multiple line lists and analyzing the stability of the results. The resulting intensities are expected to be accurate to a few percent for well-behaved, stable transitions. Complete T = 296 K line lists are provided for each species. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00224073
Volume :
203
Database :
Academic Search Index
Journal :
Journal of Quantitative Spectroscopy & Radiative Transfer
Publication Type :
Academic Journal
Accession number :
125787108
Full Text :
https://doi.org/10.1016/j.jqsrt.2017.06.026