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Accurate line intensities of methane from first-principles calculations
Andrei V. Nikitin, Michael Rey and Vladimir G. Tyuterev Journal of Quantitative Spectroscopy and Radiative Transfer 200 90 (2017) https://doi.org/10.1016/j.jqsrt.2017.05.023
Accurate ab initio dipole moment surfaces of ozone: First principle intensity predictions for rotationally resolved spectra in a large range of overtone and combination bands
Vladimir G. Tyuterev, Roman V. Kochanov and Sergey A. Tashkun The Journal of Chemical Physics 146(6) (2017) https://doi.org/10.1063/1.4973977
Accurate Theoretical Methane Line Lists in the Infrared up to 3000 K and Quasi-continuum Absorption/Emission Modeling for Astrophysical Applications
First theoretical global line lists of ethylene (12C2H4) spectra for the temperature range 50−700 K in the far-infrared for quantification of absorption and emission in planetary atmospheres
A highly accurate ab initio potential energy surface for methane
Alec Owens, Sergei N. Yurchenko, Andrey Yachmenev, Jonathan Tennyson and Walter Thiel The Journal of Chemical Physics 145(10) (2016) https://doi.org/10.1063/1.4962261
Full-Dimensional Potential Energy and Dipole Moment Surfaces of GeH4 Molecule and Accurate First-Principle Rotationally Resolved Intensity Predictions in the Infrared
A.V. Nikitin, M. Rey, A. Rodina, B. M. Krishna and Vl. G. Tyuterev The Journal of Physical Chemistry A 120(45) 8983 (2016) https://doi.org/10.1021/acs.jpca.6b07732
TheoReTS – An information system for theoretical spectra based on variational predictions from molecular potential energy and dipole moment surfaces
Michaël Rey, Andrei V. Nikitin, Yurii L. Babikov and Vladimir G. Tyuterev Journal of Molecular Spectroscopy 327 138 (2016) https://doi.org/10.1016/j.jms.2016.04.006
Trajectory and Model Studies of Collisions of Highly Excited Methane with Water Using an ab Initio Potential
Peter F. Bernath Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 372(2014) 20130087 (2014) https://doi.org/10.1098/rsta.2013.0087
Photodissociation of CH3CHO at 248 nm by time-resolved Fourier-transform infrared emission spectroscopy: Verification of roaming and triple fragmentation
Kai-Chan Hung, Po-Yu Tsai, Hou-Kuan Li and King-Chuen Lin The Journal of Chemical Physics 140(6) (2014) https://doi.org/10.1063/1.4862266
ExoMol line lists – IV. The rotation–vibration spectrum of methane up to 1500 K
Sergei N. Yurchenko and Jonathan Tennyson Monthly Notices of the Royal Astronomical Society 440(2) 1649 (2014) https://doi.org/10.1093/mnras/stu326
Spectrum of hot methane in astronomical objects using a comprehensive computed line list
Sergei N. Yurchenko, Jonathan Tennyson, Jeremy Bailey, Morgan D. J. Hollis and Giovanna Tinetti Proceedings of the National Academy of Sciences 111(26) 9379 (2014) https://doi.org/10.1073/pnas.1324219111
Accurate first-principles calculations for 12CH3D infrared spectra from isotopic and symmetry transformations
Michaël Rey, Andrei V. Nikitin and Vladimir G. Tyuterev The Journal of Chemical Physics 141(4) (2014) https://doi.org/10.1063/1.4890956
THEORETICAL HOT METHANE LINE LISTS UP TOT= 2000 K FOR ASTROPHYSICAL APPLICATIONS
Photodissociation of gaseous CH3COSH at 248 nm by time-resolved Fourier-transform infrared emission spectroscopy: Observation of three dissociation channels
Variational Calculation of Highly Excited Rovibrational Energy Levels of H2O2
Oleg L. Polyansky, Igor N. Kozin, Roman I. Ovsyannikov, et al. The Journal of Physical Chemistry A 117(32) 7367 (2013) https://doi.org/10.1021/jp401216g
Vibrational transition moments of CH4 from first principles
Calculations of rovibrational energies and dipole transition intensities for polyatomic molecules using MULTIMODE
Stuart Carter, Amit R. Sharma, Joel M. Bowman, Pavel Rosmus and Riccardo Tarroni The Journal of Chemical Physics 131(22) (2009) https://doi.org/10.1063/1.3266577