Quantum dynamics of heavy light heavy reactions: Application to (F + CH4 → FCH3 + H) reaction
We apply the time-dependent theory to the collinear exchange reaction F + CH 4 → FCH 3 + H. We have performed detailed calculations on two-dimensional potential surfaces representing the ground electronic potentials of the collinear F + CH 4 → FCH 3 + H reaction, at incident energies. Transmission c...
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Veröffentlicht in: | Russian Journal of Physical Chemistry A 2013-03, Vol.87 (3), p.454-460 |
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Hauptverfasser: | , , , , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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Zusammenfassung: | We apply the time-dependent theory to the collinear exchange reaction F + CH
4
→ FCH
3
+ H. We have performed detailed calculations on two-dimensional potential surfaces representing the ground electronic potentials of the collinear F + CH
4
→ FCH
3
+ H reaction, at incident energies. Transmission coefficients range from zero to unity, depending upon the incident energy. Normal modes of vibrations are displayed along the reaction path. |
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ISSN: | 0036-0244 1531-863X |
DOI: | 10.1134/S0036024413030369 |