Электронная библиотека (репозиторий) Томского государственного университета
Nikitin, Andrei V. | Tyuterev, Vladimir G. | статьи в журналах | 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
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