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20082012
most citedA Higher-Accuracy van der Waals Density Functional

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cond-mat.mtrl-sci2011★ 33 cited

Ab initio energetics and kinetics study of H_2 and CH_4 in the SI Clathrate Hydrate

Qi Li, Brian Kolb, Guillermo Roman-Perez +5

We present ab initio results at the density functional theory level for the energetics and kinetics of H_2 and CH_4 in the SI clathrate hydrate. Our results complement a recent art…