UV Absorption Spectroscopy of the Conformer-Dependent Reactivity of the Four Carbon Criegee Intermediate of Methyl Vinyl Ketone Oxide: An Ab initio Quantum Dynamics Study

An extended theoretical analysis of the photodissociation dynamics of the four-carbon Criegee intermediate (CH ═CH(CH )COO) or methyl vinyl ketone oxide, which has four conformers, following excitation to the B state, is presented. Our analysis relies on multireference electronic wave functions comb...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2023-12, Vol.127 (48), p.10091-10103
1. Verfasser:	Nikoobakht, Behnam
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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