Triple hydrogen bonding in a circular arrangement: ab initio, DFT and first-principles MD studies of tris-hydroxyaryl enamines

Agata Martyniak, Jaroslaw J. Panek, Aneta Jezierska-Mazzarello, Aleksander Filarowski. Triple hydrogen bonding in a circular arrangement: ab initio, DFT and first-principles MD studies of tris-hydroxyaryl enamines. Journal of Computer-Aided Molecular Design, 26(9):1045-1053, 2012. [doi]

Abstract

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