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- W2048326562 abstract "Abstract Ab initio calculations on the formate water complex in different intermolecular orientations are reported. The intermolecular distance was optimized at frozen subunit geometries. The most stable arrangement is a cyclic heterodimer with two bent hydrogen bonds ( R CO = 3.23 A, Δ E = -19.3 kcal/mole." @default.
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- W2048326562 date "1979-05-01" @default.
- W2048326562 modified "2023-09-27" @default.
- W2048326562 title "Ab initio LCMO studies on the hydration of formate ion" @default.
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- W2048326562 doi "https://doi.org/10.1016/0009-2614(79)80478-9" @default.
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