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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},
}