Chun Ho Kang

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Various ONIOM combinations-ONIOM(HF/6-31G*: PM3), ONIOM(B3LYP/6-31G*: PM3), ONIOM(MP2/6-31G*: PM3), and ONIOM(MP2/6-31G*: HF/3-21G)--were applied to investigate thermal decomposition mechanisms of four 2-phenoxycarboxylic acids (2-phenoxyacetic acid, 2-phenoxypropionic acid, 2-phenoxybutyric acid, and 2-phenoxyisobutyric acid) in the gas phase. All the(More)
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