Theoretical calculation of the water ion product K[sub w]

A dielectric solvation model is applied to the prediction of the equilibrium ionization of liquid water over a wide range of density and temperature with the objective of calibrating that model for the study of ionization in water of organic acids, e.g., proteins and nucleic acids. The model include...

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Bibliographic Details
Published in:	Journal of the American Chemical Society Vol. 117:5
Main Authors:	Tawa, G.J., Pratt, L.R.
Format:	Journal Article
Language:	English
Published:	United States 08-02-1995
Subjects:	400201 - Chemical & Physicochemical Properties 661300 - Other Aspects of Physical Science- (1992-) 990200 - Mathematics & Computers CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS DISSOCIATION ELECTRICAL PROPERTIES ENERGY FREE ENERGY GENERAL AND MISCELLANEOUS//MATHEMATICS, COMPUTING, AND INFORMATION SCIENCE HYDROGEN COMPOUNDS INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY IONIZATION MATHEMATICAL MODELS MOLECULAR MODELS MOLECULES NUCLEIC ACIDS ORGANIC ACIDS ORGANIC COMPOUNDS OXYGEN COMPOUNDS PHYSICAL PROPERTIES POLARIZABILITY SOLVATION THERMODYNAMIC MOLECULAR MODEL THERMODYNAMIC PROPERTIES WATER
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