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@ARTICLE{Adam:423471,
      author       = {Adam, Ahmad Y. and Jensen, Per and Yachmenev, Andrey and
                      Yurchenko, Sergei N.},
      title        = {{N}onresonant {R}aman spectra of the methyl radical
                      $^{12}${CH}$_3$ simulated in variational calculations},
      journal      = {Journal of molecular spectroscopy},
      volume       = {362},
      issn         = {0022-2852},
      address      = {Orlando, Fla.},
      publisher    = {Academic Press},
      reportid     = {PUBDB-2019-02575},
      pages        = {77 - 83},
      year         = {2019},
      note         = {© Elsevier Inc.},
      abstract     = {We report first-principles variational simulation of the
                      non-resonant Raman spectrum for the methyl radical
                      ($^{12}$CH$_3$) in the electronic ground state. Calculations
                      are based on a high level ab initio potential energy and
                      dipole moment surfaces of CH$_3$ and employ the accurate
                      variational treatment of the ro-vibrational dynamics
                      implemented in the general code TROVE [S. N. Yurchenko, W.
                      Thiel, and P. Jensen, J. Mol. Spectrosc. 245, 126–140
                      (2007); A. Yachmenev and S. N. Yurchenko, J. Chem. Phys.
                      143, 014105 (2015)]. TROVE can be applied to arbitrary
                      molecules of moderate size and we extend here its
                      capabilities towards simulations of Raman spectra. The
                      simulations for CH$_3$ are found to be in a good agreement
                      with the available experimental data.},
      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)},
      pid          = {G:(DE-HGF)POF3-6211},
      experiment   = {EXP:(DE-MLZ)NOSPEC-20140101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000476485700012},
      doi          = {10.1016/j.jms.2019.06.005},
      url          = {https://bib-pubdb1.desy.de/record/423471},
}