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The pKa values of ten organic acids in dimethyl sulfoxide (DMSO) solution were calculated using the density functional theory (DFT), second-order Moller-Plesset Perturbation (MP2) and Hartree-Fock (HF) methods at the 6-31+G(d) basis set level. The solvation was included through the polarizable continuum model (PCM). The major work was to compare the different PCM methods to calculate the pKa, as well...
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