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- W2023492862 abstract "Abstract The molecular interactions in a carboxylic acid/sodium carboxylate compound which is a liquid at room temperature were calculated using a CNDO/2 approach. The calculations gave results distinguishing the energy for different conformations in the molecular compound. The maximum binding energy was found for a structure in which the four acids were bridging with a hydrogen bond from the acid OH group to the carboxylate group and the acid carbonyl groups forming a ligand bond to the carboxylate sodium ion." @default.
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- W2023492862 date "1979-12-01" @default.
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- W2023492862 title "CNDO calculations on the structure of a liquid sodium carboxylate—carboxylic acid compound" @default.
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- W2023492862 doi "https://doi.org/10.1016/0021-9797(79)90351-5" @default.
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