Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 47(18), p. 32169-32177, 2016
DOI: 10.1039/c6cp05968f
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Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates
Journal article published in 2016 by
Joseph R. Cendagorta,
Anna Powers,
Timothy J. H. Hele 
,
Ondrej Marsalek,
Zlatko Bačić,
Mark E. Tuckerman
,
Ondrej Marsalek,
Zlatko Bačić,
Mark E. Tuckerman
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Abstract
Depending on the temperature, competing quantum effects are found to accelerate or decelerate the diffusion rate of hydrogen compared to deuterium in clathrates.