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In disagreement with an intuitive prediction on the basis of the molecular size and dipole moment, it is observed empirically that the solubility of carbon dioxide (CO 2 ) in water is larger than that of carbon monoxide (CO). In order to shed light on this puzzling behavior, the solvation free energy of CO and CO 2 in aqueous solution is studied by means of the RISM-SCF/MCSCF method,...
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