Engineering the Formation of Chalcogen Bonds with Water: I. Heterodimers of the Chalcogen Hydrides H2O-H2X (X = S, Se, Te).

We assess the competing preference for hydrogen and chalcogen bonding in the aqueous heterodimers of the chalcogen hydrides H2O-H2X (X = S, Se, Te). We employ the CCSD(T) method near the complete basis set limit and include an explicit account of anh…

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