Is there symmetry breaking in the first excited singlet state of 2-pyridone dimer?

Journal of Physical Chemistry A

Volumn 114, Issue 25, 2010, Pages 6897-6903

  Sagvolden, Espen ^a   Furche, Filipp ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

2-PYRIDONES; ASYMMETRIC TRANSFER; COUPLED-CLUSTER METHODS; COUPLED-CLUSTER THEORY; CURVE-CROSSING MODELS; DIABATIC; EXCITATION SPECTRUM; EXCITED SINGLET STATE; HYBRID DENSITY FUNCTIONAL; HYDROGEN ATOMS; HYDROGEN TRANSFER; PHOTO-INDUCED; SYMMETRY-BREAKING; TAUTOMERIZATIONS; TIME-DEPENDENT DENSITY;

EXCITED STATES; QUANTUM CHEMISTRY;

DENSITY FUNCTIONAL THEORY;

PYRIDONE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DIMERIZATION; QUANTUM THEORY; THERMODYNAMICS;

DIMERIZATION; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PYRIDONES; QUANTUM THEORY; THERMODYNAMICS;

EID: 77954020697     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp102637e     Document Type: Article

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