Электронная библиотека (репозиторий) Томского государственного университета
Delahaye, Thibault

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Add   First-principles calculations of infrared spectra for three ethylene isotopologues: 13C2H4, 13C12CH4 and 12C2H3
Authors: Rey, Michaël | Delahaye, Thibault | Nikitin, Andrei V. | Viglaska, Dominika
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2019. Vol. 230. P. 142-154
Type: статьи в журналах
Date: 2019
Description: Accurate variational high-resolution spectra calculations are reported for the very first time for three ethylene isotopologues, namely 13C2H4, 13C12CH4 and 12C2H3D, of symmetry D2h, C2v and Cs. Theor ... 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   Accurate first-principles spectra predictions for ethylene from full 12D ab initio surfaces
Authors: Delahaye, Thibault | Rey, Michaël | Tyuterev, Vladimir G. | Szalay, P. G. | Nikitin, Andrei V.
Source: The Twenty-fourth Colloquium on High Resolution Molecular Spectroscopy, Dijon, France, August 24–28, 2015. Dijon, 2015. P. 148
Type: статьи в сборниках
Date: 2015
Add   Combining ab initio, variational and contact transformation methods for accurate spectra predictions: from three- to six-atomic molecules
Authors: Tyuterev, Vladimir G. | Delahaye, Thibault | Nikitin, Andrei V. | Tashkun, Sergey A. | Kochanov, Roman V. | Starikova, Evgeniya N. | Rey, Michaël
Source: XVIII Simposium and School on High Resolusion Molecular Spectroscopy HighRus-2015, June 30 – July 4, 2015 : Abstracts of Reports. Tomsk, 2015. P. 105
Type: статьи в сборниках
Date: 2015
Add   Highly exited molecular states: challenge for spectroscopy, dynamics and astrophysics
Authors: Tyuterev, Vladimir G. | Delahaye, Thibault | Nikitin, Andrei V. | Tashkun, Sergey A. | Kochanov, Roman V. | Rey, Michaël
Source: The Twenty-fourth Colloquium on High Resolution Molecular Spectroscopy, Dijon, France, August 24–28, 2015. Dijon, 2015. P. 387
Type: статьи в сборниках
Date: 2015
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