Intermolecular interactions between molecules in various conformational states: the dimer of oxalic acid.


We considered stability of the dimer of oxalic acid. The global minimum energy structure identified by us is stabilized by two inter- and four intramolecular hydrogen bonds, whereas the most stable structure identified in previous studies is supported by two inter- and three intramolecular hydrogen bonds. The latter structure proves to be less stable by 25… (More)
DOI: 10.1021/jp4125638


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