Double proton transfer reactions with plateau-like transition state regions: Pyrazole-trifluoroacetic acid clusters

Journal of Physical Chemistry A

Volumn 110, Issue 8, 2006, Pages 2816-2820

  Schweiger, Stefan ^a   Rauhut, Guntram ^a  

^a UNIVERSITY OF STUTTGART   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL REACTIONS; GROUND STATE; MODULATION; PROTONS;

COUPLED-CLUSTER LEVEL; EXCITED STATES; PYRAZOLE; VERTICAL EXCITATION ENERGIES;

ACETIC ACID;

PROTON; PYRAZOLE; PYRAZOLE DERIVATIVE; TRIFLUOROACETIC ACID;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; HYDROGEN BOND; MATHEMATICAL COMPUTING; QUANTUM THEORY; THERMODYNAMICS;

HYDROGEN BONDING; MATHEMATICAL COMPUTING; MODELS, MOLECULAR; PROTONS; PYRAZOLES; QUANTUM THEORY; THERMODYNAMICS; TRIFLUOROACETIC ACID;

EID: 33644913976     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0569842     Document Type: Article

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