First-principles simulations of transition state spectra of the I + HI and I + DI reactions and vibrational bonding in IMuI

Published 2015 View Full Article

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Title
First-principles simulations of transition state spectra of the I + HI and I + DI reactions and vibrational bonding in IMuI
Authors
Keywords
Reaction dynamics, Transition state spectroscopy, Reactive resonance, Vibrational bonding, Van der Waals bonding, Ab initio, potential energy surface
Journal
CHEMICAL PHYSICS
Volume 457, Issue -, Pages 51-56
Publisher
Elsevier BV
Online
2015-05-29
DOI
10.1016/j.chemphys.2015.05.019

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