The influence of secondary interactions on complex stability and double proton transfer reaction in 2-[1H]-pyridone/2-hydroxypyridine dimers

Journal of Molecular Modeling

Volumn 17, Issue 10, 2011, Pages 2491-2500

  Ośmiałowski, Borys ^a   Dobosz, Robert ^a  

^a UNIVERSITY OF TECHNOLOGY AND LIFE SCIENCES   (Poland)

Author keywords

2 1H pyridone; 2 hydroxypyridine; Hydrogen bond; Proton transfer; Self association; Transition state

Indexed keywords

2 HYDROXYPYRIDINE; 2(1H) PYRIDONE; HETEROCYCLIC COMPOUND; HYDROXIDE; OXYGEN; PYRIDINOL; PYRIDONE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENTROPY; HYDROGEN BOND; MOLECULAR INTERACTION; PRIORITY JOURNAL; PROTON TRANSPORT; TAUTOMER; TAUTOMERIZATION;

DIMERIZATION; HYDROGEN BONDING; MODELS, CHEMICAL; PROTONS; PYRIDONES;

EID: 80255126311     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0934-y     Document Type: Article

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