Электронная библиотека (репозиторий) Томского государственного университета

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Add   High-level ab initio study of disulfur monoxide: Ground state potential energy surface and band origins for six isotopic species
Authors: Egorov, Oleg V. | Rey, Michaël | Kochanov, Roman V. | Nikitin, Andrei V. | Tyuterev, Vladimir G.
Source: Chemical physics letters. 2023. Vol. 811. P. 140216 (1-7)
Type: статьи в журналах
Date: 2023
Description: In this work, a series of potential energy surfaces (PESs) of S2O was constructed in order to get the most accurate ab initio band origins of this massive molecule. The convergence of the coupled clus ... More
Add   The HITRAN2020 molecular spectroscopic database
Authors: Gordon, Iouli E. | Rothman, Laurence S. | Hargreaves, R. J. | Hashemi, R. | Karlovets, Ekaterina Vladimirovna | Skinner, F. M. | Conway, Eamon K. | Hill, Christian | Kochanov, Roman V. | Tan, Y. | Wcisło, Piotr | Finenko, Artem A. | Bernath, Peter F. | Birk, Manfred | Boudon, Vincent | Nikitin, Andrei V. | Tyuterev, Vladimir G. | Egorov, Oleg V. | Starikova, Evgeniya N.
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2022. Vol. 277. P. 107949 (1-82)
Type: статьи в журналах
Date: 2022
Add   Addition of the line list for carbon disulfide to the HITRAN database: line positions, intensities, and half-widths of the 12C32S2, 32S12C34S, 32S12C33S, and 13C32S2 isotopologues
Authors: Karlovets, Ekaterina Vladimirovna | Gordon, Iouli E. | Hashemi, R. | Kochanov, Roman V. | Hargreaves, R. J. | Rothman, Laurence S.
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2021. Vol. 258. P. 107275 (1-15)
Type: статьи в журналах
Date: 2021
Description: A new ro-vibrational line list for the 12C32S2, 32S12C34S, 32S12C33S, and 13C32S2 isotopologues of carbon disulfide, including line positions, intensities, and linewidths, has been produced as part of ... More
Add   The first comprehensive dataset of beyond-Voigt line-shape parameters from ab initio quantum scattering calculations for the HITRAN database: He-perturbed H2 case study
Authors: Wcisło, Piotr | Thibault, F. | Stolarczyk, N. | Jóźwiak, H. | Słowiński, M. | Gancewski, M. | Stankiewicz, K. | Konefał, M. | Kassi, Samir | Campargue, Alain | Tan, Y. | Wang, J. | Patkowski, K. | Ciuryło, R. | Lisak, D. | Kochanov, Roman V. | Rothman, Laurence S. | Gordon, Iouli E.
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2021. Vol. 260. P. 107477 (1-10)
Type: статьи в журналах
Date: 2021
Description: We demonstrate a new method for populating line-by-line spectroscopic databases with beyond-Voigt line-shape parameters, which is based on ab initio quantum scattering calculations. We report a compre ... More
Add   Infrared absorption cross-sections in HITRAN2016 and beyond: Expansion for climate, environment, and atmospheric applications
Authors: Gordon, Iouli E. | Rothman, Laurence S. | Shine, Keith P. | Sharpe, Steven W. | Johnson, Timothy J. | Wallington, Timothy J. | Harrison, Jeremy J. | Bernath, Peter F. | Birk, Manfred | Wagner, Georg | Le Bris, Karine | Bravo, Iván | Hill, Christian | Kochanov, Roman V.
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2019. Vol. 230. P. 172-221
Type: статьи в журналах
Date: 2019
Description: Spectroscopic analysis of hydrocarbons, halocarbons and related species is required in atmospheric applications such as climate-change research, tracking of pollution and biomass burning, and remote s ... More
Add   First-principles computed rate constant for the O + O2 isotopic exchange reaction now matches experiment
Authors: Honvault, Pascal | Kochanov, Roman V. | Tyuterev, Vladimir G. | Guillon, Grégoire
Source: The journal of physical chemistry letters. 2018. Vol. 9, № 8. P. 1931-1936
Type: статьи в журналах
Date: 2018
Description: We show, by performing exact time-independent quantum molecular scattering calculations, that the quality of the ground electronic state global potential energy surface appears to be of utmost importa ... More
Add   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
Authors: Tyuterev, Vladimir G. | Kochanov, Roman V. | Tashkun, Sergey A.
Source: Journal of chemical physics. 2017. Vol. 146, № 6. P. 064304-1-064304-26
Type: статьи в журналах
Date: 2017
Description: Ab initio dipole moment surfaces (DMSs) of the ozone molecule are computed using the MRCI-SD method with AVQZ, AV5Z, and VQZ-F12 basis sets on a dense grid of about 1950 geometrical configurations. Th ... More
Add   H2, He, and CO2 line-broadening coefficients, pressure shifts and temperature-dependence exponents for the HITRAN database. Part 1: SO2, NH3, HF, HCl, OCS and C2H2
Authors: Wilzewski, Jonas S. | Kochanov, Roman V. | Hill, Christian | Rothman, Laurence S. | Gordon, Iouli E.
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2016. Vol. 168. P. 193-206
Type: статьи в журналах
Date: 2016
Description: To increase the potential for use of the HITRAN database in astronomy, experimental and theoretical line-broadening coefficients, line shifts and temperature-dependence exponents of molecules of plane ... More
Add   HITRAN application programming interface (HAPI): A comprehensive approach to working with spectroscopic data
Authors: Kochanov, Roman V. | Rothman, Laurence S. | Wcislo, Piotr | Hill, Christian | Wilzewski, Jonas S. | Gordon, Iouli E.
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2016. Vol. 177. P. 15-30
Type: статьи в журналах
Date: 2016
Description: The HITRAN Application Programming Interface (HAPI) is presented. HAPI is a free Python library, which extends the capabilities of the HITRANonline interface (www.hitran.org) and can be used to filter ... More
Add   Lifetimes and wave functions of ozone metastable vibrational states near the dissociation limit in a full-symmetry approach
Authors: Lapierre, David | Kochanov, Roman V. | Kokoouline, Viatcheslav | Tyuterev, Vladimir G. | Alijah, Alexander
Source: Physical Review A. 2016. Vol. 94, № 4. P. 042514-1-042514-15
Type: статьи в журналах
Date: 2016
Description: Energies and lifetimes (widths) of vibrational states above the lowest dissociation limit of O316 were determined using a previously developed efficient approach, which combines hyperspherical coordin ... More
Add   Addition of the H2, He and CO2 broadening and shifting parameters and their temperature dependencies. Part 1: SO2, NH3, HF, HCl, OCS and C2H2
Authors: Wilzewski, Jonas S. | Kochanov, Roman V. | Hill, Christian | Rothman, Laurence S. | Gordon, Iouli E.
Source: XVIII Simposium and School on High Resolusion Molecular Spectroscopy HighRus-2015, June 30 – July 4, 2015 : Abstracts of Reports. Tomsk, 2015. P. 44
Type: статьи в сборниках
Date: 2015
Add   Addition to the HITRAN database of line-shape parameters due to the pressure of H2, He and CO2. Part 1: SO2, NH3, HF, HCL, OCS and C2H2
Authors: Wilzewski, Jonas S. | Kochanov, Roman V. | Hill, Christian | Rothman, Laurence S. | Gordon, Iouli E.
Source: The Twenty-fourth Colloquium on High Resolution Molecular Spectroscopy, Dijon, France, August 24–28, 2015. Dijon, 2015. P. 253
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   Comment on "Radiative forcings for 28 potential Archean greenhouse gases" by Byrne and Goldblatt (2014)
Authors: Kochanov, Roman V. | Rothman, Laurence S. | Sharpe, S. W. | Johnson, T. J. | Sams, R. L. | Gordon, Iouli E.
Source: Climate of the past. 2015. Vol. 11, № 3. P. 1097-1105
Type: статьи в журналах
Date: 2015
Description: In the recent article by Byrne and Goldblatt, "Radiative forcing for 28 potential Archean greenhouse gases", Clim. Past. 10, 1779–1801 (2014), the authors employ the HITRAN2012 spectroscopic database ... More
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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