The analysis of HF molecule by means of infrared transitions in H+ F-2 collinear scattering on two different potential energy surfaces
Abstract
In this study, infrared vibrational modes and intensities are calculated for F-2+ H -> HF+ F reaction according to distance between F and H atoms by using DFT-B3LYP/6-311++ G (d, p) level of theory. Also for the relevant reaction, the vibrational energy e
URI
https://doi.org/10.1016/j.cplett.2018.08.050http://dspace.beu.edu.tr:8080/xmlui/handle/20.500.12643/10220
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