https://www.selleckchem.com/pr....oducts/pclx-001-ddd8
The extrapolations are done both without and with a basis-set correction based on density-functional theory. The mean absolute deviations from experiment for these extrapolations are 0.46 kcal/mol and 0.51 kcal/mol, respectively. Orbital optimization methods used to obtain improved convergence of the SHCI energies are also discussed.We report a synchrotron radiation vacuum ultraviolet photoionization study of the hydroperoxyl radical (HO2), a key reaction intermediate in combustion and atmospheric chemistry as well as astroche
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