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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 - Netherlands
doi 10.1007/s10822-012-9597-3
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Abstract

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Categories
Theoretical ChemistryDrug DiscoveryComputer Science ApplicationsPhysical
Date

September 1, 2012

Authors
Agata MartyniakJarosław PanekAneta Jezierska-MazzarelloAleksander Filarowski
Publisher

Springer Science and Business Media LLC


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