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The optimum orbitals for the H2 + D⇋H + HD exchange reaction

✍ Scribed by William A. Goddard III; Robert C. Ladner

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
195 KB
Volume
3
Category
Article
ISSN
0020-7608

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📜 SIMILAR VOLUMES

Rate coefficients for O(1D) + H2, D2, HD
Rate coefficients for O(1D) + H2, D2, HD reactions and H atom yield in O(1D) + HD reaction
✍ Ranajit K. Talukdar; A.R. Ravishankara 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 520 KB

Rate coefficients, in units of 10-~0 cm 3 molecule-~ s-~, for the O(~D) reactions with H2, D 2 and HD at 298 K were determined to be 1.2 \_\_\_ 0.1, 1.1 + 0.1, and 1.2 + 0.1, respectively. The H atom yield in the O(~ D) + HD reaction, relative to that in the O(ID) + H 2 reaction, was measured to be

The exchange reaction H2 (ν = 1) + H = H
The exchange reaction H2 (ν = 1) + H = H + H2
✍ V.I. Osherov; V.G. Ushakov; L.A. Lomakin 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 166 KB

The classical trajectory method is applied to calculate the total cross sectio.1 for the exchange reaction Hz(u = 1) + H = H + Hz\_ The vibrational excitation is shown to influence efficiently the tbresb~ld value. Partial reaction rate-constants calculated on the basis of the cross sections obtained