Ab initio benchmark study of (2-pyridone)2, a strongly bound doubly hydrogen-bonded dimer

Journal of Physical Chemistry A

Volumn 108, Issue 1, 2004, Pages 157-165

  Müller, Andreas ^a   Losada, Martin ^a   Leutwyler, Samuel ^a  

^a UNIVERSITY OF BERN   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CALCULATIONS; CHEMICAL BONDS; DISSOCIATION; ELECTRON ENERGY LEVELS; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PERTURBATION TECHNIQUES;

DISSOCIATION ENERGY; GAS-PHASE ROTATIONAL CONSTANT; HYDROGEN BONDED DIMER; INTERMOLECULAR VIBRATION; PYRIDONE; SECOND-ORDER MOLLER-PLESSET PERTURBATION THEORY;

ORGANIC COMPOUNDS;

EID: 18344400480     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0361024     Document Type: Article

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