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Total binding energy and its components from B3LYP-D3/aug-cc-pvdz DEDA along the HB angles (see scheme 2). Black: total binding energy; Red: frozen density energy; Green: electronic relaxation energy (polarization and charge transfer). Panel A: (a) Water Dimer; (b) Formaldehyde–Water; (c) Furan–Water; (d) Ammonia–Water; (e) Hydrogen Cyanide–Water; (f) Methanimine–Water; (g) Hydrogen Sulfide–Water. Panel B: Formamide Dimer.
