Singlet (Δ) O as an efficient tropospheric oxidizing agent: the gas phase reaction with the simplest Criegee intermediate

The reaction between CH 2 OO and 1 Δ g O 2 has been investigated by means of high level quantum chemical and chemical kinetic calculations. Post-CCSD(T) corrections in terms of full triplets and partial quadratic excitations, along with core corrections have been employed to estimate the reaction en...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2020-09, Vol.22 (35), p.1987-19876
Hauptverfasser:	Sarkar, Saptarshi, Bandyopadhyay, Biman
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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