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https://doi.org/10.3103/s1062873820050202
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Cite Publication Date: May 1, 2020 |
Affiliation: Ufa State Aviation Technical University
The time of the redistribution of the kinetic energy of atoms by intramolecular vibrational modes (the lower boundary of V−V energy exchange) of a phenol molecule is calculated via molecular dynamics using the quantum-classical approach and depending on the energy of excitation of the valence vibrations of the hydroxyl group.
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