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Trajectory calculations and converged quantum cross sections for D + H2(υ = 1, j = 1, Erel = 1.02 eV) → HD(υ′ = 1, j′) + H on a new potential energy surface

✍ Scribed by William J. Keogh; Arnold I. Boothroyd; Peter G. Martin; Steven L. Mielke; Donald G. Truhlar; David W. Schwenke


Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
439 KB
Volume
195
Category
Article
ISSN
0009-2614

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Classical trajectory calculations for th
✍ F.J. Aoiz; V. Candela; V.J. Herrero; V. Sáez Rábanos 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 797 KB

Differentialandtotal state-to-state~sssectionsfoortheD+H,(u=O,j=O-3)~HD(u',j')+Hreactioninthe0.35-1.10eV collision energy range, have been calculated on the UTH surface using the QCT method. The results are commented on and compared to recent quantum mechanical calculations and to experimental measu