Article ID Journal Published Year Pages File Type
5394619 Computational and Theoretical Chemistry 2012 9 Pages PDF
Abstract
► The dissociation process of carbon dioxide hydrate is revealed. ► The dissociation of sI CO2 hydrate is sensitive to the residence of specific cavities. ► The dissociation mechanism of gas hydrates are related to the diffusion barriers of guest molecule.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Dissociation mechanism of carbon dioxide hydrate by molecular dynamic simulation and ab initio calculation
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