Solvent intervention in lactim/lactam tautomeric interconversion

A. Lledós, J. Bertrán

Research output: Contribution to journalArticleResearchpeer-review

15 Citations (Scopus)


The tautomeric interconversion 2-hydroxypyridine→2-pyridone in aqueous solution has been studied by means of ab initio calculation, using the STO-3G basis set. The intervention of one water molecule produces a dramatic reduction on the potential barrier. © 1985.
Original languageEnglish
Pages (from-to)73-78
JournalJournal of Molecular Structure: THEOCHEM
Issue numberC
Publication statusPublished - 1 Jan 1985


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