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Showing 1 to 1 of 1 for “"Formyl Radical (HCO)"”.
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Vibrational many-body methods for molecules and extended systems
… key species in hydrocarbon combustion chemistry: HCO$^+$, HCO, HNO, HOO, HOO$^-$, CH$_3^+$, and CH$_3$. We propose a hybrid, compact representation of PESs that combines the merits of two existing representations, which are a quartic force field (QFF) and numerical values on a rectilinear grid. We …