First-principles calculations of infrared spectra for three ethylene isotopologues: 13C2H4, 13C12CH4 and 12C2H3D - Archive ouverte HAL Access content directly
Journal Articles Journal of Quantitative Spectroscopy and Radiative Transfer Year : 2019

First-principles calculations of infrared spectra for three ethylene isotopologues: 13C2H4, 13C12CH4 and 12C2H3D

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Chemical Sciences Mathematics [math] Physics [physics] Chemical Sciences Theoretical and/or physical chemistry

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https://hal.univ-reims.fr/hal-02121528

Submitted on : Monday, May 6, 2019-3:54:14 PM

Last modification on : Thursday, March 17, 2022-10:08:56 AM

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hal-02121528 , version 1 (06-05-2019)

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D. Viglaska, M. Rey, T. Delahaye, A.V. Nikitin. First-principles calculations of infrared spectra for three ethylene isotopologues: 13C2H4, 13C12CH4 and 12C2H3D. Journal of Quantitative Spectroscopy and Radiative Transfer, 2019, 230, pp.142-154. ⟨10.1016/j.jqsrt.2019.04.011⟩. ⟨hal-02121528⟩

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