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

Abstract

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

Topics

  • Presentations referencing similar topics