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The (H(2))(2)-clathrate interaction is constructed in a pairwise-additive fashion, by combining the ab initio H(2)-H(2)O pair potential for flexible H(2) and rigid H(2)O [D. Lauvergnat et al., J. Chem. Phys. 150, 154303 (2019)] and the six-dimensional (6D) H(2)-H(2) …
The (H(2))(2)-clathrate interaction is constructed in a pairwise-additive fashion, by combining the ab initio H(2)-H(2)O pair potential for …