Электронная библиотека (репозиторий) Томского государственного университета
Tyuterev, Vladimir G. | Kochanov, Roman V.

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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   Does the "reef structure" at the ozone transition state towards the dissociation exist? New insight from calculations and ultrasensitive spectroscopy experiments
Authors: Tyuterev, Vladimir G. | Campargue, Alain | Kassi, Samir | Mondelain, Didier | Barbe, Alain | Starikova, Evgeniya N. | Backer, Marie-Renée de | Szalay, P. G. | Tashkun, Sergey A. | Kochanov, Roman V.
Source: Physical Review Letters. 2014. Vol. 113, № 14. P. 143002-1-143002-5
Type: статьи в журналах
Date: 2014
Description: Since the discovery of anomalies in ozone isotope enrichment, several fundamental issues in the dynamics linked to the shape of the potential energy surface in the transition state region have been ra ... 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   Wave functions and lifetimes of ozone metastable states above the dissociation threshold: impact on the dynamics
Authors: Kokoouline, Viatcheslav | Alijah, Alexander | Tyuterev, Vladimir G. | Kochanov, Roman V. | Blandon, Juan | Lapierre, David
Source: XVIII Simposium and School on High Resolusion Molecular Spectroscopy HighRus-2015, June 30 – July 4, 2015 : Abstracts of Reports. Tomsk, 2015. P. 37
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
Add   Wave functions and lifetimes of ozone metastable states above the dissociation threshold: impact on the dynamics
Authors: Kokoouline, Viatcheslav | Alijah, Alexander | Tyuterev, Vladimir G. | Kochanov, Roman V. | Blandon, Juan | Lapierre, David
Source: The Twenty-fourth Colloquium on High Resolution Molecular Spectroscopy, Dijon, France, August 24–28, 2015. Dijon, 2015. P. 279
Type: статьи в сборниках
Date: 2015
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   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   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   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
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