
%0 Journal Article
%A Khurma, JR 
%A Fenby, DV 
%T Statistical Mechanics of Deuterium Exchange Reactions: Recalculation of Thermodynamic Properties of Water-Methanol Reactions
%J Australian Journal of Chemistry
%D 1979/03/01
%V 32
%N 3
%P 465-469
%K 
%R https://doi.org/10.1071/CH9790465
%U https://www.publish.csiro.au/paper/CH9790465 
%X Thermodynamic properties of the reactions CH3OH+HDO &#8594; CH3D+H2O CH3OH+D2O &#8594; CH3OD+HDO in the gas phase are calculated from statistical mechanical equations. Two sets of calculated harmonic frequencies are used: one obtained from an experimental force field and the other from an ab initio force field. Thermodynamic properties of the corresponding liquid-phase reactions are obtained by combining the gas-phase values with vapour-pressure isotope effect results. The calculated properties are compared with published experimental values. 
