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A ring polymer molecular dynamics study of the isotopologues of the H + H2 reaction

✍ Scribed by Suleimanov, Yury V.; de Tudela, Ricardo Pérez; Jambrina, Pablo G.; Castillo, Jesús F.; Sáez-Rábanos, Vicente; Manolopoulos, David E.; Aoiz, F. Javier


Book ID
118214362
Publisher
Royal Society of Chemistry
Year
2013
Tongue
English
Weight
860 KB
Volume
15
Category
Article
ISSN
1463-9076

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Quantum dynamical study of the H + HCl →
✍ Susan E. Branchett; Søren Berg Padkjaer; Jean Michel Launay 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 578 KB

The hyperspherical method has been used to perform a close coupling calculation on the HtHCl+H2tCI reaction. Partial reaction probabilities and integral and differential cross sections have been computed for energies ranging from threshold up to I eV.