Gamache, RR;
Roller, C;
Lopes, E;
Gordon, IE;
Rothman, LS;
Polyansky, OL;
Zobov, NE;
... Kochanov, RV; + view all
(2017)
Total internal partition sums for 166 isotopologues of 51 molecules important in planetary atmospheres: Application to HITRAN2016 and beyond.
Journal of Quantitative Spectroscopy and Radiative Transfer
, 203
pp. 70-87.
10.1016/j.jqsrt.2017.03.045.
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Abstract
Total internal partition sums (TIPS) are reported for 166 isotopologues of 51 molecules important in planetary atmospheres. Molecules 1 to 50 are taken from the HITRAN2016 list, and, in some cases, additional isotopologues are considered for some of the molecules. Molecules 51–53 are C3H4, CH3, and CS2, respectively. TIPS are not reported for the O atom and CF4; thus, while there are 53 species in the list, data are reported for 51 molecules. The TIPS are determined by various methods from 1 K to a Tmax that ensures the TIPS reported have converged. These data are provided with HITRAN2016 and a new version of the TIPS code is available in both FORTRAN and python languages.
| Type: | Article |
|---|---|
| Title: | Total internal partition sums for 166 isotopologues of 51 molecules important in planetary atmospheres: Application to HITRAN2016 and beyond |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1016/j.jqsrt.2017.03.045 |
| Publisher version: | https://doi.org/10.1016/j.jqsrt.2017.03.045 |
| Language: | English |
| Additional information: | This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions. |
| Keywords: | Total internal partition sum (TIPS), Molecules/isotopologues on HITRAN2016, TIPS_2017_v1p0.for, TIPS_2017_v1p0.py |
| 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/10071995 |
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