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20052023
most citedW4 theory for computational thermochemistry: in pursuit of confident sub-kJ/mol predictions

773 citations · 2.3k across the 17 of their papers we have counts for

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physics.chem-ph2015★ 5 cited

The CH3CHOO `Criegee Intermediate' and its anion: Isomers, Infrared spectra, and W3-F12 energetics

Marcus Kettner, Amir Karton, Allan McKinley +1

For the CH3CHOO Criegee intermediates (ethanal-oxide) and analogous anions, we obtain heats of formations and electron affinities at CCSDT(Q)/CBS level of theory by means of the hi…