Article ID Journal Published Year Pages File Type
9577378 Chemical Physics Letters 2005 7 Pages PDF
Abstract
The Swain-Schaad relation, which relates the kinetic isotope effects of the three hydrogen isotopes, is extended by including tunneling and temperature dependence. The new version shows that the effect of tunneling on the Swain-Schaad exponent is opposite to that usually assumed and depends on the degree of assistance the tunneling receives from other vibrations.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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