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Pair distribution functions from ab initio molecular dynamics simulations. (A and B) PDF of C6CoM–Li pairs with 5 H2 per formula unit (A) and 18 H2 per formula unit (B). (C and D) PDF of Li–H2CoM pairs with 5 H2 per formula unit (C) and 18 H2 per formula unit (D). (E and F) PDF of Zn–H2CoM pairs with 5 H2 per formula unit (E) and 18 H2 per formula unit (F).
