Abstract
Equilibrium constants of H2O/g/ and D2O/g/ associations to clusters /H2O/n/g/ and /D2O/n/g/ have been calculated on the basis of the ab initio SCF CI MCY-B water-water pair potential. Populations of the components of equilibrium cluster mixtures have been evaluated at various temperatures and pressures for both isotopomeric series. Differences between the H and D steam are pointed out and possible consequences are discussed.
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More From: Journal of Radioanalytical and Nuclear Chemistry Letters
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