Электронная библиотека (репозиторий) Томского государственного университета
Nikitin, Andrei V.

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Add   Accurate first-principles calculations for (CH3D)-C-12 infrared spectra from isotopic and symmetry transformations
Authors: Rey, Michaël | Nikitin, Andrei V. | Tyuterev, Vladimir G.
Source: Journal of chemical physics. 2014. Vol. 141. P. 044316-1-044316-20
Type: статьи в журналах
Date: 2014
Add   An efficient method for energy levels calculation using full symmetry and exact kinetic energy operator: Tetrahedral molecules
Authors: Nikitin, Andrei V. | Rey, Michaël | Tyuterev, Vladimir G.
Source: Journal of chemical physics. 2015. Vol. 142, № 9. P. 094118-1-094118-13
Type: статьи в журналах
Date: 2015
Description: A simultaneous use of the full molecular symmetry and of an exact kinetic energy operator (KEO) is of key importance for accurate predictions of vibrational levels at a high energy range from a potent ... 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   Fourier transform 12CH3D spectra in the region 3800 - 8000 cm-1. Direct comparison to ab initio calculation
Authors: Daumont, L. | Rey, Michaël | Grouiez, B. | Albora, G. | Régalia, L. | Tyuterev, Vladimir G. | Nikitin, Andrei V. | Thomas, Xavier
Source: The Twenty-fourth Colloquium on High Resolution Molecular Spectroscopy, Dijon, France, August 24–28, 2015. Dijon, 2015. P. 231-232
Type: статьи в сборниках
Date: 2015
Add   Present status and perspectives of line-by-line analysis of the PH3 absorption spectrum in the Octad range between 2800 and 3600 cm-1
Authors: Ivanova, Y. A. | Tashkun, Sergey A. | Rey, Michaël | Tyuterev, Vladimir G. | Brown, L. R. | Nikitin, Andrei V.
Source: XVIII Simposium and School on High Resolusion Molecular Spectroscopy HighRus-2015, June 30 – July 4, 2015 : Abstracts of Reports. Tomsk, 2015. P. 73
Type: статьи в сборниках
Date: 2015
Add   Ab initio calculation of ro-vibrational spectra for GeH4 molecule
Authors: Rodina, A. A. | Rey, Michaël | Tyuterev, Vladimir G. | Nikitin, Andrei V.
Source: XVIII Simposium and School on High Resolusion Molecular Spectroscopy HighRus-2015, June 30 – July 4, 2015 : Abstracts of Reports. Tomsk, 2015. P. 32
Type: статьи в сборниках
Date: 2015
Add   First principles calculation of rovibrational spectra for SiH4 molecule
Authors: Chizhmakova, Y. S. | Rey, Michaël | Tyuterev, Vladimir G. | Nikitin, Andrei V.
Source: XVIII Simposium and School on High Resolusion Molecular Spectroscopy HighRus-2015, June 30 – July 4, 2015 : Abstracts of Reports. Tomsk, 2015. P. 33
Type: статьи в сборниках
Date: 2015
Add   Total internal partition sums for the HITRAN2020 database
Authors: Gamache, Robert R. | Vispoel, Bastien | Rey, Michaël | Nikitin, Andrei V. | Tyuterev, Vladimir G. | Egorov, Oleg V. | Gordon, Iouli E. | Boudon, Vincent
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2021. Vol. 271. P. 107713 (1-16)
Type: статьи в журналах
Date: 2021
Description: Total internal partition sums (TIPS) are reported for the 181 isotopologues of 57 molecules important in planetary atmospheres. Molecules 1 to 55, with the exception of #34 atomic oxygen, are taken fr ... More
Add   Modeling of CRDS 12CH4 spectra at 80аK in the 6539-6800 cm-1 region
Authors: Nikitin, Andrei V. | Tashkun, Sergey A. | Tyuterev, Vladimir G. | Kassi, Samir | Campargue, Alain | 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. 127
Type: статьи в сборниках
Date: 2015
Add   Methane high-T partition function from contact transformations and variational calculations
Authors: Krishna, Balasubramoniam Murali | Rey, Michaël | Tashkun, Sergey A. | Tyuterev, Vladimir G. | Nikitin, Andrei V.
Source: XVIII Simposium and School on High Resolusion Molecular Spectroscopy HighRus-2015, June 30 – July 4, 2015 : Abstracts of Reports. Tomsk, 2015. P. 121
Type: статьи в сборниках
Date: 2015
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   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   First principles calculation of energy levels and spectra for AB4, ABC3 type molecules
Authors: Nikitin, Andrei V. | Rey, Michaël | Tyuterev, Vladimir G. | Krishna, Balasubramoniam Murali
Source: XVIII Simposium and School on High Resolusion Molecular Spectroscopy HighRus-2015, June 30 – July 4, 2015 : Abstracts of Reports. Tomsk, 2015. P. 74
Type: статьи в сборниках
Date: 2015
Add   Measurements and modeling of long-path 12CH4 spectra in the 4800–5300cm-1 region
Authors: Thomas, Xavier | Régalia, L. | Daumont, L. | Rey, Michaël | Tashkun, Sergey A. | Tyuterev, Vladimir G. | Brown, L. R. | Nikitin, Andrei V.
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2014. Vol. 138. P. 116-123
Type: статьи в журналах
Date: 2014
Add   First-principles calculation of energy levels and spectra for AB4, ABC3 type molecules
Authors: Nikitin, Andrei V. | Rey, Michaël | Tyuterev, Vladimir G. | Krishna, Balasubramoniam Murali
Source: The Twenty-fourth Colloquium on High Resolution Molecular Spectroscopy, Dijon, France, August 24–28, 2015. Dijon, 2015. P. 405
Type: статьи в сборниках
Date: 2015
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