
TY  - JOUR
A1  - Khurma, JR 
A1  - Fenby, DV 
T1  - Statistical Mechanics of Deuterium Exchange Reactions: Recalculation of Thermodynamic Properties of Water-Methanol Reactions
JF  - Australian Journal of Chemistry
JO  - Aust. J. Chem.
Y1  - 1979
VL  - 32
IS  - 3
SP  - 465
EP  - 469
KW  - 
UR  - https://doi.org/10.1071/CH9790465 
N2  - 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. 
ER  -

