Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Volume 723, Issue 1-3, Pages 189-194Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.theochem.2005.03.006
Keywords
reaction dynamics; wavepacket study; S plus HD
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The time-dependent real wave packet method has been used to study S(D-1) + HD reaction. State-to-state and state-to-all reactive scattering probabilities for a broad range of energy are calculated at zero total angular momentum. The probabilities for J> 0 are estimated from accurately computed J=0 probabilities by using J-shifting approximation. The integral cross-sections are calculated for a large energy range. © 2005 Elsevier B.V. All rights reserved.
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