Article ID Journal Published Year Pages File Type
5391975 Chemical Physics Letters 2006 6 Pages PDF
Abstract
The dehydrogenation reaction for the LiH…HF system was examined using the density functional theory calculations. This study demonstrates that the microsolvation effect can drive the initial LiH…HF complex transforming into the Li+…HH…F− system with the formation of an HH covalent bond.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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