Article ID Journal Published Year Pages File Type
5388762 Chemical Physics Letters 2007 6 Pages PDF
Abstract
CCSD(T)/CBS calculations plus corrections predict the heats of formation of formaldehyde O-oxide 1 (Criegee intermediate) and dioxirane 2 to be ΔHf0(1)=26.4 kcal/mol and ΔHf0(2)=1.2 kcal/mol at 298 K.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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