Электронная библиотека (репозиторий) Томского государственного университета

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Add   Preliminary analysis of the interacting pentad bands (ν2+2ν4,ν2+ν3,4ν2,ν1+2ν2,2ν1) of CF4 in the 16000-1800cm-1 region
Authors: Rey, Michaël | Rotger, Maud | Nikitin, Andrei V. | Chizhmakova, Iana S. | Thomas, Xavier | Aroui, Hassen | Tashkun, Sergey A. | Tyuterev, Vladimir G. | Mattoussi, Mariem
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2019. Vol. 226. P. 92-99
Type: статьи в журналах
Date: 2019
Description: The Fourier transform spectrum of CF4 in the 1600–1800 cm−1 was recorded in Reims by using a White-type multi-pass cell to provide a path length of 8.262 m. In the present work, all spectrum analyses ... More
Add   Symmetry effects in rotationally resolved spectra of bi-deuterated ethylene: Theoretical line intensities of cis, trans, and as-C2H2D2 isotopome
Authors: Rey, Michaël | Nikitin, Andrei V. | Tyuterev, Vladimir G. | Viglaska, Dominika
Source: Journal of chemical physics. 2019. Vol. 150, № 19. P. 194303-1-194303-21
Type: статьи в журналах
Date: 2019
Description: In this paper, we report accurate first-principles variational rovibrational spectra predictions for the three double deuterated ethylene isotopologs denoted as cis, trans, and as-12C2H2D2. Calculatio ... More
Add   Assignment and modelling of 12CH4 spectra in the 5550-5695, 5718-5725 and 5792-5814 cm-1 regions
Authors: Thomas, Xavier | Daumont, Ludovic | Rey, Michaël | Sung, Keeyoon | Toon, G. C. | Smith, M. A. H. | Mantz, Arlan W. | Protasevich, A. E. | Tashkun, Sergey A. | Nikitin, Andrei V. | Tyuterev, Vladimir G.
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2018. Vol. 219. P. 323-332
Type: статьи в журналах
Date: 2018
Description: A new study of 12CH4 line positions and intensities was performed for the Tetradecad regions 5550,000–5695.250, 5718.8–5724.250 and 5792.36–5814.290 cm−1 using long path (202 m, 602 m, 1604 m and 1804 ... More
Add   New accurate theoretical line lists of 12CH4 and 13CH4 in the 0-13400 cm-1 range: Application to the modeling of methane absorption in Titan's atmosphere
Authors: Nikitin, Andrei V. | Bézard, Bruno | Rannou, Pascal | Coustenis, Athena | Tyuterev, Vladimir G. | Rey, Michaël
Source: Icarus. 2018. Vol. 303. P. 114-130
Type: статьи в журналах
Date: 2018
Description: The spectrum of methane is very important for the analysis and modeling of Titan’s atmosphere but its insufficient knowledge in the near infrared, with the absence of reliable absorption coefficients, ... More
Add   The 13CH4 absorption spectrum at 80 K: Assignment and modeling of the lower part of the Tetradecad in the 4970–5470 cm−1 spectral range
Authors: Sung, Keeyoon | Nikitin, Andrei V. | Rey, Michaël | Mantz, Arlan W. | Smith, Mary Ann H. | Starikova, Evgeniya N.
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2018. Vol. 206. P. 306-312
Type: статьи в журналах
Date: 2018
Description: A 13C-enriched spectrum of methane (13CH4) was recorded at Doppler-limited resolution (0.0044 cm−1) at 80 K covering the entire Tetradecad region in the 4970–6200 cm−1. In this paper we present the sp ... More
Add   The methane absorption spectrum near 1.73 µm (5695–5850 cm−1): Empirical line lists at 80 K and 296 K and rovibrational assignments
Authors: Mondelain, Didier | Kassi, Samir | Nikitin, Andrei V. | Rey, Michaël | Campargue, Alain | Ghysels, M.
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2018. Vol. 213. P. 169-177
Type: статьи в журналах
Date: 2018
Description: The methane absorption spectrum is studied at 297 K and 80 K in the center of the Tetradecad between 5695 and 5850 cm−1. The spectra are recorded by differential absorption spectroscopy (DAS) with a n ... More
Add   Understanding global infrared opacity and hot bands of greenhouse molecules with low vibrational modes from first-principles calculations: the case of CF4
Authors: Chizhmakova, Iana S. | Nikitin, Andrei V. | Tyuterev, Vladimir G. | Rey, Michaël
Source: Physical chemistry chemical physics. 2018. Vol. 20, № 32. P. 21008-21033
Type: статьи в журналах
Date: 2018
Description: Fluorine containing molecules have a particularly long atmospheric lifetime and their very big estimated global warming potentials are expected to rapidly increase in the future. This work is focused ... More
Add   Accurate line intensities of methane from first-principles calculations
Authors: Nikitin, Andrei V. | Rey, Michaël | Tyuterev, Vladimir G.
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2017. Vol. 200. P. 90-99
Type: статьи в журналах
Date: 2017
Description: In this work, we report first-principle theoretical predictions of methane spectral line intensities that are competitive with (and complementary to) the best laboratory measurements. A detailed compa ... More
Add   Fourier Transform Spectroscopy of two trace gases namely Methane and Carbon monoxide for planetary and atmospheric research application
Authors: Hashemi, R. | Lavrentieva, Nina N. | Vandaele, A. C. | Auwera, J. Vander | Nikitin, Andrei V. | Tyuterev, Vladimir G. | Sung, K. | Smith, M. A. H. | Devi, V. M. | Dudaryonok, Anna S. | Predoi-Cross, A.
Source: Journal of Physics: Conference Series. 2017. Vol. 810. P. 0120008 (1-8)
Date: 2017
Add   Ab initio variational predictions for understanding highly congested spectra: rovibrational assignment of 108 new methane sub-bands in the icosad range (6280–7800 cm-1)
Authors: Rey, Michaël | Campargue, Alain | Kassi, Samir | Mondelain, Didier | Tyuterev, Vladimir G. | Nikitin, Andrei V.
Source: Physical chemistry chemical physics. 2016. Vol. 18, № 1. P. 176-189
Type: статьи в журналах
Date: 2016
Description: A detailed study of methane spectra in the highly congested icosad range of 6280–7800 cm−1 has been performed using global variational calculations derived from accurate ab initio potential energy and ... More
Add   Analyses and modeling of the 12CH4 spectrum at 80K between 6539 and 6800 cm-1
Authors: Nikitin, Andrei V. | Tashkun, Sergey A. | Kassi, Samir | Mondelain, Didier | Campargue, Alain | Tyuterev, Vladimir G. | Rey, Michaël
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2016. Vol. 168. P. 207-216
Type: статьи в журналах
Date: 2016
Description: Accurate rovibrational analysis of the lower part of the Icosad 12CH4 spectrum in the 6539–6800 cm−1 region is reported. The analysis uses the WKLMC experimental line list previously obtained in Greno ... More
Add   First fully ab initio potential energy surface of methane with a spectroscopic accuracy
Authors: Nikitin, Andrei V. | Rey, Michaël | Tyuterev, Vladimir G.
Source: Journal of Chemical Physics. 2016. Vol. 145, № 11. P. 114309-1-114309-16
Type: статьи в журналах
Date: 2016
Description: Full 9-dimensional ab initio potential energy surfaces for the methane molecule are constructed using extended electronic structure coupled-cluster calculations with various series of basis sets follo ... More
Add   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
Authors: Rey, Michaël | Nikitin, Andrei V. | Tyuterev, Vladimir G. | Delahaye, Thibault
Source: Astronomy and astrophysics. 2016. Vol. 594. P. A47 (1-16)
Type: статьи в журналах
Date: 2016
Description: We present the construction of complete and comprehensive ethylene line lists for the temperatures 50−700 K based on accurate ab initio potential and dipole moment surfaces and extensive first-princip ... More
Add   Full-dimensional potential energy and dipole moment surfaces of GeH4 molecule and accurate first-principle rotationally resolved intensity predictions in the infrared
Authors: Nikitin, Andrei V. | Rodina, Alena A. | Krishna, Balasubramoniam Murali | Tyuterev, Vladimir G. | Rey, Michaël
Source: The Journal of Physical Chemistry A. 2016. Vol. 120, № 45. P. 8983-8997
Type: статьи в журналах
Date: 2016
Description: Nine-dimensional potential energy surface (PES) and dipole moment surface (DMS) of the germane molecule are constructed using extended ab initio CCSD(T) calculations at 19 882 points. PES analytical r ... More
Add   Measurements and modeling of cold 13CH4 spectra in the 3750-4700 cm-1 region
Authors: Brown, L. R. | Sung, K | Rey, Michaël | Tashkun, Sergey A. | Tyuterev, Vladimir G. | Crawford, T. J. | Smith, M. A. H. | Mantz, A. W. | Nikitin, Andrei V.
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2016. Vol. 174. P. 88-100
Type: статьи в журналах
Date: 2016
Description: A new study of 13CH4 line intensities and positions was performed in the Octad region between 3750 and 4700 cm−1. Using 13C-enriched samples, spectra were recorded with both the McMath–Pierce FTS at K ... More
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