Supplementary Information HSO3Cl: A Prototype Molecule for Studying OH-stretching Overtone Induced Photodissociation
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1 Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics. This journal is © the Owner Societies 2016
منابع مشابه
HSO3Cl: a prototype molecule for studying OH-stretching overtone induced photodissociation.
Vibrationally induced photodissociation in sulfurochloridic acid (HSO3Cl) is found to be a viable process to form SO3 and HCl from excitations of the OH-stretching overtone starting at νOH = 4. Reactive molecular dynamics simulations on a fully-dimensional potential energy surface fitted to MP2 calculations show that hydrogen transfer and HCl elimination compete with one another on the nanoseco...
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