Электронная библиотека (репозиторий) Томского государственного университета
Nikitin, Andrei V. | Tyuterev, Vladimir G. | дипольные моменты

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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   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   TheoReTS - An information system for theoretical spectra based on variational predictions from molecular potential energy and dipole moment surfaces
Authors: Rey, Michaël | Babikov, Yurii L. | Tyuterev, Vladimir G. | Nikitin, Andrei V.
Source: Journal of molecular spectroscopy. 2016. Vol. 327. P. 138-158
Type: статьи в журналах
Date: 2016
Description: Knowledge of intensities of rovibrational transitions of various molecules and theirs isotopic species in wide spectral and temperature ranges is essential for the modeling of optical properties of pl ... 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   Assignment and modeling of 13CH4 from 5853 to 6200 cm-1: preliminary results
Authors: Starikova, Evgeniya N. | Tashkun, Sergey 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. 117
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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