Электронная библиотека (репозиторий) Томского государственного университета
этилен | Rey, Michaël

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Add   First-principles calculations of infrared spectra for three ethylene isotopologues: 13C2H4, 13C12CH4 and 12C2H3
Authors: Rey, Michaël | Delahaye, Thibault | Nikitin, Andrei V. | Viglaska, Dominika
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2019. Vol. 230. P. 142-154
Type: статьи в журналах
Date: 2019
Description: Accurate variational high-resolution spectra calculations are reported for the very first time for three ethylene isotopologues, namely 13C2H4, 13C12CH4 and 12C2H3D, of symmetry D2h, C2v and Cs. Theor ... More
Add   Symmetry effects in rotationally resolved spectra of bi-deuterated ethylene: Theoretical line intensities of cis, trans, and as-C2H2D2 isotopome
Authors: Rey, Michaël | Nikitin, Andrei V. | Tyuterev, Vladimir G. | Viglaska, Dominika
Source: Journal of chemical physics. 2019. Vol. 150, № 19. P. 194303-1-194303-21
Type: статьи в журналах
Date: 2019
Description: In this paper, we report accurate first-principles variational rovibrational spectra predictions for the three double deuterated ethylene isotopologs denoted as cis, trans, and as-12C2H2D2. Calculatio ... 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
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