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@ARTICLE{Adam:423335,
      author       = {Adam, Ahmad Y. and Yachmenev, Andrey and Yurchenko, Sergei
                      N. and Jensen, Per},
      title        = {{V}ariationally {C}omputed {IR} {L}ine {L}ist for the
                      {M}ethyl {R}adical {CH}$_3$},
      journal      = {The journal of physical chemistry / C},
      volume       = {123},
      number       = {22},
      issn         = {1932-7447},
      address      = {Washington, DC},
      publisher    = {ACS},
      reportid     = {PUBDB-2019-02523},
      pages        = {4755 - 4763},
      year         = {2019},
      note         = {© American Chemical Society},
      abstract     = {We present the first variational calculation of a
                      hot-temperature ab initio line list for the CH$_3$ radical.
                      It is based on a high-level ab initio potential energy
                      surface and dipole moment surface of CH$_3$ in the ground
                      electronic state. The ro-vibrational energy levels and
                      Einstein $A$ coefficients were calculated using the
                      general-molecule variational approach implemented in the
                      computer program TROVE. Vibrational energies and vibrational
                      intensities are found to be in very good agreement with the
                      available experimental data. The line list comprises 9 127
                      123 ro-vibrational states ($J ≤ 40$) and 2 058 655 166
                      transitions, covering the wavenumber range up to 10 000
                      cm$^{–1}$ and should be suitable for temperatures up to $T
                      = 1500$ K.},
      cin          = {FS-CFEL-CMI / FS-CFEL-1},
      ddc          = {530},
      cid          = {I:(DE-H253)FS-CFEL-CMI-20220405 /
                      I:(DE-H253)FS-CFEL-1-20120731},
      pnm          = {6211 - Extreme States of Matter: From Cold Ions to Hot
                      Plasmas (POF3-621) / CUI - Hamburger Zentrum für
                      ultraschnelle Beobachtung (194651731)},
      pid          = {G:(DE-HGF)POF3-6211 / G:(GEPRIS)194651731},
      experiment   = {EXP:(DE-MLZ)NOSPEC-20140101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:31050423},
      UT           = {WOS:000470938000013},
      doi          = {10.1021/acs.jpca.9b02919},
      url          = {https://bib-pubdb1.desy.de/record/423335},
}