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The formation of highly excited H in the reaction H2+(v) + H2 → H + H
Authors:George C Schatz  Jay K Badenhoop  Charles W Eaker
Abstract:A quasiclassical trajectory surface hopping method has been used to study Hurn:x-wiley:00207608:media:QUA560310107:tex2gif-stack-4(v) + H2 → Hurn:x-wiley:00207608:media:QUA560310107:tex2gif-stack-5 + H for v = 0, 3, 7, 10, 13, and 17 with an emphasis on determining the Hurn:x-wiley:00207608:media:QUA560310107:tex2gif-stack-6 internal energy and angular momentum distributions for high v. For v = 13 and 17, significant cross sections are found for producing Hurn:x-wiley:00207608:media:QUA560310107:tex2gif-stack-7 at energies above its dissociation energy. An average metastable Hurn:x-wiley:00207608:media:QUA560310107:tex2gif-stack-8 lifetime of 11.5 ps for v = 13 and 4.7 ps for v = 17 is found, but there is also a much longer lived component to the lifetime distributions that is more important for v = 13 than for v = 17. Some of the longer lived metastables correspond to high angular momentum orbiting states of Hurn:x-wiley:00207608:media:QUA560310107:tex2gif-stack-9, but other sources of metastability are also present.
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