Computations of 36 tautomer/isomer equilibria of different lactams

Journal of Physical Chemistry A

Volumn 116, Issue 25, 2012, Pages 6885-6893

  Galstyan, Gegham ^a   Knapp, Ernst Walter ^a  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATICITIES; CORRECTION TERMS; CPU TIME; EXPERIMENTAL DATA; FUNCTIONAL YIELD; FUNCTIONALS; GASPHASE; N-HETEROCYCLIC COMPOUNDS; NUCLEUS-INDEPENDENT CHEMICAL SHIFTS; REFERENCE ENERGY; ROOT-MEAN SQUARE DEVIATION; ZWITTERIONIC STRUCTURE;

QUANTUM CHEMISTRY;

AMIDES;

LACTAM;

ARTICLE; CHEMISTRY; QUANTUM THEORY; STEREOISOMERISM;

LACTAMS; QUANTUM THEORY; STEREOISOMERISM;

EID: 84862860550     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp302569g     Document Type: Article

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