databace.scisat.ca
MoLLIST (Molecular Line Lists, Intensities and Spectra

MoLLIST: Molecular Line Lists, Intensities and Spectra (2020)


This page provides access to the molecular line lists for a number of molecules along with the associated publication list. We invite you to access the MoLLISTs by clicking on the URL links below.

For more information on the MoLLIST, or to cite, please refer to:
P. Bernath, MoLLIST: Molecular Line Lists, Intensities and Spectra (2020) J. Quant. Spectrosc. Radiat. Transf. 240 (2020) 106687

    AlCl:

    databace.scisat.ca/mollist/AlCl/

  • Mahdi Yousefi, Peter Bernath. Line Lists for AlF and AlCl in the X1Line Lists for AlF and AlCl in the X1Σ+ Ground State. Astrophysical Journal Supplement Series 237, 8-15 (2018). PDF


    • AlF:

    databace.scisat.ca/mollist/AlF/

  • Mahdi Yousefi, Peter Bernath. Line Lists for AlF and AlCl in the X1Line Lists for AlF and AlCl in the X1Σ+ Ground State. Astrophysical Journal Supplement Series 237, 8-15 (2018). PDF


    • C(CH3)4:

    databace.scisat.ca/mollist/neopentane/

  • P. F. Bernath, E. L. Sibert III and M. Dulick. Neopentane Vibrations: High Resolution Spectra and Anharmonic Calculations. Journal of Physical Chemistry A 124, 3438-3444 (2020). PDF

  • P. Bernath, R. Dodangodage, M. Dulick, J. Zhao and B. Billinghurst. Absorption cross sections for neopentane broadened by nitrogen in the 3.3 micron region. Journal of Quantitative Spectroscopy & Radiative Transfer 251, 107034 (2020). PDF

  • Peter Bernath, Edwin L. Sibert III, Keith LaBelle, Jianbao Zhao, Brant Billinghurst. Absorption cross sections and local mode analysis for neopentane. Journal of Quantitative Spectroscopy & Radiative Transfer 293, 108390 (2022). PDF


    • C2:

    databace.scisat.ca/mollist/C2/

  • J. S. A. Brooke, P. F. Bernath, T. W. Schmidt and G. B. Bacskay. Line strengths and updated molecular constants for the C2 Swan system. J. Quant. Spectrosc. Rad. Trans. 124, 11-20 (2013). PDF

  • R. S. Ram, J. S. A. Brooke, P. F. Bernath, C. Sneden, S. Lucatello. Improved Line Data for the Swan System 12C13C Isotopologue. Astrophys. J. Suppl. 211, 5 (2014). PDF

  • A. Tanabashi, T. Hirao, T. Amano, P.F. Bernath. The Swan System of C2: A Global Analysis of Fourier Transform Emission Spectra. Astrophys. J. Suppl. 169, 472-484 (2007). PDF

  • W. Chen, K. Kawaguchi, P.F. Bernath, J. Tang. Study of infrared emission spectroscopy for the B1Δg - A1Πu and B'1Σg+ - A1Πu systems of C2. J. Chem. Phys. 144, 064301 (2016). PDF

  • W. Chen, K. Kawaguchi, P.F. Bernath, J. Tang. Simultaneous analysis of the Ballik-Ramsay and Phillips systems of C2 and observation of forbidden transitions between singlet and triplet states. J. Chem. Phys. 142, 064317 (2015). PDF


    • C2H6:

    databace.scisat.ca/mollist/C2H6/

  • J.J. Harrison, N.D.C. Allen and P.F. Bernath. Infrared absorption cross sections for ethane (C2H6) in the 3 μm region. J. Quant. Spectrosc. Rad. Trans. 111, 357-363 (2010). PDF

  • Robert J. Hargreaves, Eric Buzan, Michael Dulick, Peter F. Bernath. High-resolution absorption cross sections of C2H6 at elevated temperatures. Mol. Astrophys. 1, 20-25 (2015). PDF

  • Dan Hewett, Peter Bernath, Jianbao Zhao, Brant Billinghurst. Near infrared absorption cross sections for ethane broadened by hydrogen and nitrogen. Journal of Quantitative Spectroscopy & Radiative Transfer 242, 106780 (2019). PDF

  • R. Dodangodage, P. F. Bernath, J. Zhao and B. Billinghurst. Absorption cross sections for ethane broadened by hydrogen and helium in the 3.3 micron region. Journal of Quantitative Spectroscopy & Radiative Transfer 253, 107131 (2020). PDF


    • C3H6:

    databace.scisat.ca/mollist/C3H6/

  • E. M. Buzan, R. J. Hargreaves, P. F. Bernath. High resolution absorption cross sections propylene in the 3 μm region at high temperatures. Molecular Astrophysics 3, 16-20 (2016). PDF

  • Randika Dodangodage, Peter F. Bernath, Jianbao Zhao, Brant Billinghurst. Absorption cross sections in the CH stretching region for propene broadened by helium and nitrogen. 271, 107738 (2021). PDF

  • Peter F. Bernath; Randika Dodangodage; Jianbao Zhao; Brant Billinghurst. Infrared absorption cross sections for propene broadened by N2 (450–1250 cm−1 ) and by H2 (2680–3220 cm−1 ). Journal of Quantitative Spectroscopy & Radiative Transfer 296, 108462 (2022). PDF


    • C3H6O:

    databace.scisat.ca/mollist/C3H6O/

  • J. J. Harrison, N. D. C. Allen and P. F. Bernath. Infrared absorption cross sections for acetone (propanone) in the 3 μm region. J. Quant. Spectrosc. Rad. Trans. 112, 53-58 (2011). PDF

  • J. J. Harrison, N. Humpage, N. D. C. Allen, A. M. Waterfall, P. F. Bernath and J. J. Remedios. Mid-wavelength infrared absorption cross sections for acetone (propanone). J. Quant. Spectrosc. Rad. Trans. 112, 457-464 (2011). PDF


    • C3H8:

    databace.scisat.ca/mollist/C3H8/

  • J.J. Harrison and Peter F. Bernath. Infrared absorption cross sections for propane (C3H8) in the 3μm region. Journal of Quantitative Spectroscopy and Radiative Transfer 111, 1282-1288 (2009). PDF

  • C. A. Beale, R. J. Hargreaves, P. F. Bernath. Temperature-dependent high resolution absorption cross sections of propane. J. Quant. Spectrosc. Rad. Transfer 182, 219-224 (2016). PDF

  • Wong, R. J. Hargreaves, B. Billinghurst, P. F. Bernath. Infrared absorption cross sections of propane broadened by hydrogen. J. Quant. Spectrosc. Rad. Transfer 198, 141-144 (2017). PDF

  • Wong, B. Billinghurst, P. F. Bernath. Helium broadened propane absorption cross sections in the far-IR. Molecular Astrophysics 8, 36-39 (2017). PDF

  • A. Wong, P. Bernath and D. Appadoo. IR absorption cross sections of propane broadened by H2 and He between 150-210 K. J. Quant. Spectrosc. Rad. Transfer 218, 68-71 (2018). PDF

  • A. Wong, D. Hewett, B. E. Billinghurst, J. N. Hodges and P. F. Bernath. He and H2 broadened propane cross sections in the 3 µm region at cold temperatures. J. Quant. Spectrosc. Rad. Transfer 232, 104-107 (2019). PDF


    • CH:

    databace.scisat.ca/mollist/CH/

  • T. Masseron, B. Plez, S. Van Eck, R. Colin, I. Daoutidis, M. Godefroid, P.-F. Coheur, P. Bernath, A. Jorissen, and N. Christlieb. CH in stellar atmospheres: an extensive linelist. Astron. Astrophys. 571, A47 (2014). PDF


    • CH3CHO:

    databace.scisat.ca/mollist/CH3CHO/

  • K. A. Tereszchuk and P. F. Bernath. Infrared absorption cross-sections for acetaldehyde (CH3CHO) in the 3 μm region. J. Quant. Spectrosc. Rad. Trans. 112, 990-993 (2011). PDF


    • CH3CN:

    databace.scisat.ca/mollist/CH3CN/

  • N. D. C. Allen, J. J. Harrison and P. F. Bernath. Acetonitrile (CH3CN) infrared absorption cross sections in the 3 μm region. J. Quant. Spectrosc. Rad. Trans. 112, 1961-1966 (2011). PDF

  • J. J. Harrison and P. F. Bernath. Mid- and long-wave infrared absorption cross sections for acetonitrile. J. Quant. Spectrosc. Rad. Trans. 113, 221-225 (2012). PDF


    • CH3OH:

    databace.scisat.ca/mollist/CH3OH/

  • J. J. Harrison, N. D. C. Allen and P. F. Bernath. Infrared absorption cross sections for methanol. J. Quant. Spectrosc. Rad. Trans. 113, 2189-2196 (2012). PDF


    • CH4:

    databace.scisat.ca/mollist/CH4/

  • R. Nassar and P. Bernath. Hot Methane Spectra for Astrophysical Applications. J. Quant. Spectrosc. Radiat. Trans. 82, 279-292 (2003). PDF

  • R. Hargreaves, C. A. Beale, L. Michaux, M. Irfan and P. F. Bernath. Hot Methane Line Lists for Exoplanet and Brown Dwarf Atmospheres. Astrophys. J. 757, 46 (10pp) (2012). PDF

  • R.J. Hargreaves, P.F. Bernath, J. Bailey, M. Dulick. Empirical Line Lists and Absorption Cross Sections for Methane at High Temperatures. Astrophys. J. 813, 12 (2015). PDF

  • Mahdi Yousefi, Peter F Bernath, Mike Dulick, Manfred Birk, Georg Wagner. Line parameters for hot methane ?3 band broadened by H 2 from 296 to 1100 K. Journal of Quantitative Spectroscopy & Radiative Transfer 263, 107557 (2021). PDF


    • CN:

    databace.scisat.ca/mollist/CN/

  • J. S. A. Brooke, R. S. Ram, C. M. Western, G. Li, D. W. Schwenke, P. F. Bernath. Einstein A Coefficients and Oscillator Strengths for the A2Π-X2Σ+ (red) and B2Σ+-X2Σ+ (violet) Systems and Rovibrational Transitions in the X2Σ+ state of CN. Astrophys. J. Suppl. 210, 23 (2014). PDF

  • C. Sneden, S. Lucatello, R. S. Ram, J. S. A. Brooke, P. Bernath. Line lists for the A2Π-X2Σ+ (red) and B2Σ+-X2Σ+ (violet) Systems of CN, 13CN, and C15N, and Application to Astronomical Spectra. Astrophys. J. Suppl. 214, 26 (2014). PDF


    • CP:

    databace.scisat.ca/mollist/CP/

  • R. S. Ram, J. S. A. Brooke, C.M. Western and P. F. Bernath. Einstein A-values and oscillator strengths of the A2Π-X2Σ+ system of CP. J. Quant. Spectrosc. Rad. Trans. 138, 107-115 (2014). PDF


    • CaF:

    databace.scisat.ca/mollist/CaF/

  • S. Hou, P. F. Bernath. Line list for the ground state of CaF. J. Quant. Spectrosc. Rad. Transfer 210, 44-51 (2018). PDF


    • CaH:

    databace.scisat.ca/mollist/CaH/

  • G. Li, J. J. Harrison, R. S. Ram, C. M. Western and P. F. Bernath. Einstein A coefficients and absolute line intensities for the E2Π-X2Σ+ transition of CaH. J. Quant. Spectrosc. Rad. Trans. 113, 67-74 (2012). PDF

  • G. Li, J.J. Harrison, R.S. Ram, C.M. Western, P.F. Bernath. Einstein A coefficients and absolute line intensities for the E2Π-X2Σ+ transition of CaH. J. Quant. Spectrosc. Rad. Trans. 113, 67-74 (2011). PDF

  • A. Shayesteh, R.S. Ram, P.F. Bernath. Fourier transform emission spectra of the A2Π→ X2Σ+→ and B2Σ+ → X2Σ+ band systems of CaH. J. Mol. Spectrosc. 288, 46-51 (2013). PDF


    • CrH:

    databace.scisat.ca/mollist/CrH/

  • A. Burrows, R.S. Ram, P. Bernath, C.M. Sharp and J.A. Milsom. New CrH Opacities for the Study of L and Brown Dwarf Atmospheres. Astrophys. J. 577, 986-992 (2002). PDF


    • FeH:

    databace.scisat.ca/mollist/FeH/

  • M. Dulick, C.W. Bauschlicher, Jr., A. Burrows, C.M. Sharp, R.S. Sharp, R.S. Ram and P.F. Bernath. Line Intensities and Molecular Opacities of the F4Di - X4Di Transition. Astrophys. J. 594, 651-663 (2003). PDF

  • R. J. Hargreaves, K. H. Hinkle, C. W. Bauschlicher, S. Wende, A. Seifahrt and P. F. Bernath. High-Resolution 1.6 μm Spectra of FeH in M and L Dwarfs. Astron. J. 140, 919-924 (2010). PDF

  • S. Wende, A. Reiners, A. Seifahrt and P. F. Bernath. CRIRES spectroscopy and empirical line-by-line identification of FeH molecular absorption in an M dwarf. Astron. Astrophys. 523, A58 (2010). PDF


    • HC(CH3)3:

    databace.scisat.ca/mollist/isobutane/

  • D. Hewett, P. F. Bernath and B. Billinghurst. Infrared absorption cross sections of isobutane with hydrogen and nitrogen as broadening gases. J. Quant. Spectrosc. Rad. Transfer 227, 226-229 (2019). PDF

  • P. F. Bernath, D. Bittner and E. L. Sibert III. Infrared Bands: Partial Rotational Assignments, Ab Initio Calculations and Local Mode Analysis. Journal of Physical Chemistry A 123, 6185-6193 (2020). PDF

  • D. Hewett, P. F. Bernath, A. Wong, B. E. Billinghurst, J. Zhao, N. A. Lombardo, C. A. Nixon and D. E. Jennings. N2 and H2 broadened isobutane infrared absorption cross sections and butane upper limits on Titan. Icarus 344, 113460 (2019). PDF

  • P. Bernath, A. M. Fernando. Infrared absorption cross sections for hot isobutane in the CH stretching region. Journal of Quantitative Spectroscopy & Radiative Transfer 269, 107644 (2021). PDF


    • KCl:

    databace.scisat.ca/mollist/KCl/

  • E. J. Barton, C. Chui, S. Golpayegani, S. N. Yurchenko, J. Tennyson, D. J. Frohman, P. F. Bernath. ExoMol molecular line lists V: The ro-vibrational spectra of NaCl and KCl. Mon. Not. R. Astro. Soc. 442, 1821-1829 (2014). PDF


    • KF:

    databace.scisat.ca/mollist/KF/

  • D.J. Frohman, P.F. Bernath, J.S.A. Brooke. Molecular line lists: The ro-vibrational spectra of NaF and KF. J. Quant. Spectrosc. Rad. Trans. 169, 104-110 (2016). PDF


    • LaO:

    databace.scisat.ca/mollist/LaO/

  • P. F. Bernath; R. Dodangodage; and J. Liévin . S-type Stars: Line List for the A 2Π–X 2Σ+ Band System of LaO. The Astrophysical Journal 953, 181 (2023). PDF

  • P. F. Bernath; R. Dodangodage; and J. Liévin . S-type Stars: LaO Line List for the B 2Σ+–X 2Σ+ Band System. The Astrophysical Journal 933, 99 (2022). PDF


    • LiCl:

    databace.scisat.ca/mollist/LiCl/

  • D. M. Bittner, P. F. Bernath. Line Lists for LiF and LiCl in the X1Σ+ Ground State. Astrophys. J. Suppl. 235, 8-13 (2018). PDF


    • LiF:

    databace.scisat.ca/mollist/LiF/

  • D. M. Bittner, P. F. Bernath. Line Lists for LiF and LiCl in the X1Σ+ Ground State. Astrophys. J. Suppl. 235, 8-13 (2018). PDF


    • MgD:

    databace.scisat.ca/mollist/MgD/

  • R.D.E. Henderson, A. Shayesteh, J. Tao, C.C. Haugen, P.F. Bernath, R.J. Le Roy,. Accurate Analytic Potential and Born-Oppenheimer Breakdown Functions for MgH and MgD from a Direct-Potential-Fit Data Analysis. J. Phys. Chem. A 117, 13373-13387 (2013). PDF


    • MgF:

    databace.scisat.ca/mollist/MgF/

  • S. Hou, P.F. Bernath. Line list for the MgF ground state. J. Quant. Spectrosc. Rad. Transfer 203, 511-516 (2017). PDF


    • MgH:

    databace.scisat.ca/mollist/MgH/

  • E. GharibNezhad, A. Shayesteh, P. F. Bernath. Einstein A Coefficients for Rovibronic Lines of the A2Π→X2Σ+ and B'2Σ+→X2Σ+ transitions of MgH. Mon. Notices R. Astro. Soc. 432, 2043-2047 (2013). PDF

  • R.D.E. Henderson, A. Shayesteh, J. Tao, C.C. Haugen, P.F. Bernath, R.J. Le Roy,. Accurate Analytic Potential and Born-Oppenheimer Breakdown Functions for MgH and MgD from a Direct-Potential-Fit Data Analysis. J. Phys. Chem. A 117, 13373-13387 (2013). PDF

  • K.H. Hinkle, L. Wallace, R.S. Ram, P.F. Bernath, C. Sneden, S. Lucatello. The Magnesium Isotopologues of MgH in the A2Π-X2Π+ System. Astrophys. J. Suppl. 207, 7pp (2013). PDF


    • NH:

    databace.scisat.ca/mollist/NH/

  • J. S. A. Brooke, P. F. Bernath, C. M. Western. Note: Improved line strengths of rovibrational and rotational transitions within the X3Σ- ground state of NH. J. Chem. Phys. 143, 026101 (2015). PDF

  • J.S.A. Brooke, P.F. Bernath, C.M. Western, M.C. van Hemert, G.C. Groenenboom. Line strengths of rovibrational and rotational transitions within the X3Σ- ground state of NH. J. Phys. Chem. 141, 054310 (2014). PDF

  • A. Fernando, P. F. Bernath, J. Hodges and T. Masseron. A new line list for the A3Π-X3Σ- transition of the NH free radical. J. Quant. Spectrosc. Rad. Transfer 217, 29-34 (2018). PDF


    • NH3:

    databace.scisat.ca/mollist/NH3/

  • R. J. Hargreaves, G. Li and P. F. Bernath. Hot NH3 for Astrophysical Applications. Astrophys. J. 735, 111 (11 pp) (2011). PDF

  • R. J. Hargreaves, G. Li and P. F. Bernath. Ammonia line lists from 1650 to 4000 cm-1. J. Quant. Spectrosc. Rad. Trans. 113, 670-679 (2012). PDF

  • Christopher A. Beale, Robert J. Hargreaves, Phillip Coles, Jonathan Tennyson, Peter F. Bernath. Infrared absorption spectra of hot ammonia. Journal of Quantitative Spectroscopy & Radiative Transfer 203, 410-416 (2018). PDF; Errata

  • N. F. Zobov, P. A. Coles, R. I. Ovsyannikov, A. A. Kyuberis, R. J. Hargreaves, P. F. Bernath, J. Tennyson, S. N. Yurchenko and O. L. Polyansky. Analysis of the red and green optical absorption spectrum of gas phase ammonia. J. Quant. Spectrosc. Rad. Transfer 209, 224-231 (2018). PDF

  • Christopher A. Beale, Andy Wong, Peter Bernath. Infrared transmission spectra of hot ammonia in the 4800-9000 cm^-1 region. Journal of Quantitative Spectroscopy & Radiative Transfer 246, 106911 (2020). PDF


    • NaCl:

    databace.scisat.ca/mollist/NaCl/

  • E. J. Barton, C. Chui, S. Golpayegani, S. N. Yurchenko, J. Tennyson, D. J. Frohman, P. F. Bernath. ExoMol molecular line lists V: The ro-vibrational spectra of NaCl and KCl. Mon. Not. R. Astro. Soc. 442, 1821-1829 (2014). PDF


    • NaF:

    databace.scisat.ca/mollist/NaF/

  • D.J. Frohman, P.F. Bernath, J.S.A. Brooke. Molecular line lists: The ro-vibrational spectra of NaF and KF. J. Quant. Spectrosc. Rad. Trans. 169, 104-110 (2016). PDF


    • OH:

    databace.scisat.ca/mollist/OH/

  • J. S. A. Brooke, P. F. Bernath, C. M. Western, C. Sneden, M. Afşar, G. Li and I. E. Gordon. Line Strengths of Rovibrational and Rotational Transitions in the X2Π Ground State of OH. Journal of Quantitative Spectroscopy & Radiative Transfer 168, 142-157 (2016). PDF

  • M. Yousefi, P. F. Bernath, J. Hodges and T. Masseron. A new line list for A2Σ+-X2Π electronic transition of OH. J. Quant. Spectrosc. Rad. Transfer 217, 416-424 (2018). PDF


    • OH+:

    databace.scisat.ca/mollist/OH+/

  • J. N. Hodges, P. F. Bernath. Fourier transform spectroscopy of the A3Π-X3Σ- transition of OH+. Astrophys. J. 840, 81-88 (2017). PDF

  • 10.J. N. Hodges, D. M. Bittner, P. F. Bernath. Improved Ultraviolet and Infrared Oscillator strengths for OH+. Astrophys. J. 855, 21-25 (2018). PDF


    • SO:

    databace.scisat.ca/mollist/SO/

  • Peter Bernath, Dror Bittner. Line List for the transition of SO: Assignment of the 1.69 micro feature on Io. Journal of Quantitative Spectroscopy & Radiative Transfer 240, 106686 (2019). PDF

  • P. Bernath, R. Johnson, J. Lievin. Line lists for the b1Σ+-X3Σ− and a1Δ-X3Σ− transitions of SO. Journal of Quantitative Spectroscopy & Radiative Transfer 272, 107772 (2021). PDF

  • Peter F. Bernath; Ryan M. Johnson b; Jacques Liévin. Line lists for X3 − and a1 vibration-rotation bands of SO. Journal of Quantitative Spectroscopy & Radiative Transfer 290, 108317 (2022). PDF


    • TiH:

    databace.scisat.ca/mollist/TiH/

  • A. Burrows, M. Dulick, C.W. Bauschlicher, Jr., P.F. Bernath, R.S. Ram, C.M. Sharp and J.A. Milsom. Spectroscopic Constants, Abundances and Opacities of the TiH Molecule. Astrophys. J 624, 988-1002 (2005). PDF


    • TiO:

    databace.scisat.ca/mollist/TiO/

  • D. M. Bittner and P. F. Bernath. Spectroscopic constants and line positions for TiO singlet states. Astrophys. J. Sup. 236, 46(5pp) (2018). PDF

  • J. N. Hodges and P. F. Bernath. Fourier transform spectroscopy of the C3Δ- X3Δ transition of TiO in support of exoplanet spectroscopy. Astrophys. J. 863, 34(4pp) (2018). PDF

  • P. F. Bernath. Measured Optical Absorption Cross Sections of TiO. The Astrophysical Journal 895, 87 (2020). PDF

  • P. Bernath, W. Cameron. Near-infrared Opacity of Late M Dwarfs and Hot Jupiters: The E3Π–X3Δ Transition of TiO. The Astrophysical Journal 904, 24 (2020). PDF

  • W. Doug Cameron, Peter Bernath. Visible Opacity of M Dwarfs and Hot Jupiters: The TiO B3??X3? Band System. The Astrophysical Journal 926, 39 (2022). PDF

  • P. Bernath; D. Cameron. Line lists for TiO minor isotopologues for the A3Φ-X3Δ electronic transition. Journal of Quantitative Spectroscopy & Radiative Transfer 310, 108745 (2023). PDF


    • ZrO:

    databace.scisat.ca/mollist/ZrO/

  • Jason J. Sorensen, Peter F. Bernath. Near-infrared and Visible Opacities of S-type Stars: The B1?—X1?+ Band System of ZrO. The Astrophysical Journal 923, 234 (2021). PDF


    • ACE Atlas

    databace.scisat.ca/aceatlas/

  • R. Hughes, P. Bernath and C. Boone. ACE Infrared Spectral Atlases of the Earth's Atmosphere. J. Quant. Spectrosc. Rad. Trans. 148, 18-21 (2014). PDF


    • Solar Atlas

    databace.scisat.ca/solarspectrum/

  • F. Hase, Lloyd Wallace, Sean D. McLeod, Jeremy J. Harrison, Peter F. Bernath. The ACE-FTS atlas of the infrared solar spectrum. Journal of Quantitative Spectroscopy and Radiative Transfer 111, 521-528 (2010). PDF