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A Simple and Efficient Method for Simulating the Electronic Absorption Spectra of Criegee Intermediates: Benchmarking on CH2OO and CH3CHOO.
J Phys Chem A. 2021 May 20;125(19):4089-4097. doi: 10.1021/acs.jpca.1c01074. Epub 2021 May 10.
J Phys Chem A. 2021.
PMID: 33970629
Modeling the Conformer-Dependent Electronic Absorption Spectra and Photolysis Rates of Methyl Vinyl Ketone Oxide and Methacrolein Oxide.
McCoy JC, Léger SJ, Frey CF, Vansco MF, Marchetti B, Karsili TNV.
McCoy JC, et al.
J Phys Chem A. 2022 Feb 3;126(4):485-496. doi: 10.1021/acs.jpca.1c08381. Epub 2022 Jan 20.
J Phys Chem A. 2022.
PMID: 35049299
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