Výsledky vyhledávání - "индуцированные дипольные моменты"

Simulation of collision-induced absorption spectra based on classical trajectories andab initiopotential and induced dipole surfaces. II. CO2–Ar rototranslational band including true dimer contribution

Autor: Sergey V. Petrov, Daniil N. Chistikov, Yulia N. Kalugina, A.A. Vigasin, Artem A. Finenko, S.E. Lokshtanov

Publikováno v: Journal of chemical physics. 2021. Vol. 155, № 6. P. 064301-1-064301-17

This paper presents further development of the new semi-classical trajectory-based formalism described in Paper I [Chistikov et al., J. Chem. Phys. 151, 194106 (2019)]. We report the results of simulation and analysis of the low-frequency collision-i

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bba1f66baa9b9793aa968c7fe2633a92
https://doi.org/10.1063/5.0060779

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Ab initio and multipolar characterisation of the induced dipole surface for CH4-CH4: Application to dipole-forbidden absorption in the Titan's atmosphere

Autor: A.A. Vigasin, Ilya A. Buryak, Yulia N. Kalugina

Publikováno v: Journal of molecular spectroscopy. 2013. Vol. 291. P. 102-107

The present paper aims to further characterise the induced dipole surface for CH 4 –CH 4 through either multipolar expansion or CCSD(T) ab initio calculations. Our calculations extend to evaluation of the collision-induced integrated intensity of a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a2f24c1cc2dc9a07931660f2563334b5
http://vital.lib.tsu.ru/vital/access/manager/Repository/vtls:000465888

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