Электронная библиотека (репозиторий) Томского государственного университета
статьи в журналах

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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   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   Quantum electromagnetic nonlinearity affecting charges and dipole moments
Authors: Adorno, Tiago C. | Shabad, Anatoly E. | Shishmarev, A. A. | Gitman, Dmitri M.
Source: Russian physics journal. 2017. Vol. 59, № 11. P. 1775-1787
Type: статьи в журналах
Date: 2017
Description: Due to the nonlinearity of QED, a static charge becomes a magnetic dipole if placed in a magnetic field, and a magnetic monopole on the background is a combination of constant electric and magnetic fi ... 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   Cavity ring-down spectroscopy of CO2 overtone bands near 830 nm
Authors: Tan, Y. | Liu, A.-W. | Hu, S.-M. | Lyulin, Oleg M. | Tashkun, Sergey A. | Perevalov, Valery I. | Zhao, X.-Q.
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2015. Vol. 165. P. 22-27
Type: статьи в журналах
Date: 2015
Description: Three bands 4003i–00001 (i=2, 3, 4) of the Fermi pentad of 12C16O2 near 830 nm have been recorded with a continuous-wave cavity ring down spectrometer. A sensitivity at the 5×10–11 cm−1 level allowed ... More
Add   High-temperature spectral dependences of 14N16O2 in the range of pure rotational and vibrational-rotational transitions
Authors: Voitsekhovskaya, Olga K. | Egorov, Oleg V. | Kashirskii, Danila E.
Source: Proceedings of SPIE. 2015. Vol. 9680 : 21st International Symposium Atmospheric and Ocean Optics: Atmospheric Physics, June 22-26, 2015, Tomsk, Russian Federation. P. 968008-1-968008-6
Type: статьи в журналах
Date: 2015
Add   Ab initio and multipolar characterisation of the induced dipole surface for CH4-CH4: Application to dipole-forbidden absorption in the Titan's atmosphere
Authors: Buryak, I. A. | Kalugina, Yulia N. | Vigasin, A. A.
Source: Journal of molecular spectroscopy. 2013. Vol. 291. P. 102-107
Type: статьи в журналах
Date: 2013
Add   Theoretical investigation of the ethylene dimer: interaction energy and dipole moment
Authors: Kalugina, Yulia N. | Cherepanov, Victor N. | Buldakov, Mikhail A. | Zvereva-Loёte, Natalia | Boudon, Vincent
Source: Journal of computational chemistry. 2012. Vol. 33, Issue 3. P. 319-330
Type: статьи в журналах
Date: 2012
Add   Функция дипольного момента молекул MeH (Me = Li, Na, K)
Authors: Булдаков, Михаил Аркадьевич | Черепанов, Виктор Николаевич | Калугина, Юлия Николаевна | Корюкина, Елена Владимировна
Source: Известия высших учебных заведений. Физика. 2007. Т. 50, № 6. С. 13-17
Type: статьи в журналах
Date: 2007
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