Data for: Ames-2016 Line Lists for 13 Isotopologues of CO2: Updates, Consistency, and Remaining Issues

Published: 20 September 2017| Version 2 | DOI: 10.17632/ct739xhz43.2
Xinchuan Huang, Timothy Lee, Richard Freedman, David Schwenke


The Ames-2016 CO2 line lists at 296K, for 13 isotopologues (xxx.296K.reduced.long.dat). A "natural" CO2 296K list base on Ames-2016 line lists using the terrestial abundance of 13 isotopologues -- A "combined" CO2 296K list using CDSD-296K line positions and Ames-2016 intensities -- The files for 1000K lists (reduced) generation: The J=0-150 levels of 13 isotopologues ( The compact & compressed files of each 1000K reduced list (xxx.1000K.reduced.tgz) note: the 727 data is not included. co2.f90 -- the fortran program reads the allElevels file and xxx.1000K.reduced file and generate the 1000K lists (reduced) the data format follows the Table 2 of Huang et al. JQSRT 147 (2014) 134-144. (a CO2 626 line list at 3000K -- 626.3000K.reduced.tgz is also included)



Theoretical Chemistry, Molecular Spectroscopy, Infrared Spectroscopy, Quantum Mechanics, Carbon Dioxide, Ab Initio Calculation, Isotope Effects, Potential Energy Surface, Molecular Dipole Surface, Spectral Analysis