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Room temperature line lists for deuterated water

Kyuberis, AA; Zobov, NF; Naumenko, OV; Voronin, BA; Polyansky, OL; Lodi, L; Liu, A; ... Tennyson, J; + view all (2017) Room temperature line lists for deuterated water. Journal of Quantitative Spectroscopy and Radiative Transfer , 203 pp. 175-185. 10.1016/j.jqsrt.2017.06.026. Green open access

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Abstract

Line lists are presented for six deuterated isotopologues of water vapor namely HD16O, HD17O, HD18O, D16 2 O, D17 2 O and D18 2 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.

Type: Article
Title: Room temperature line lists for deuterated water
Open access status: An open access version is available from UCL Discovery
DOI: 10.1016/j.jqsrt.2017.06.026
Publisher version: http://doi.org/10.1016/j.jqsrt.2017.06.026
Language: English
Additional information: © 2017 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY license. (http://creativecommons.org/licenses/by/4.0/)
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy
URI: https://discovery-pp.ucl.ac.uk/id/eprint/1565036
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