A minimum free energy reaction path for the E2 reaction between fluoro ethane and a fluoride ion

Journal of the American Chemical Society

Volumn 126, Issue 31, 2004, Pages 9492-9493

  Ensing, Bernd ^a   Laio, Alessandro ^b   Gervasio, Francesco L ^b   Parrinello, Michele ^b   Klein, Michael L ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ETHANE; FLUORIDE ION;

ARTICLE; CATALYSIS; CHEMICAL BOND; ELIMINATION REACTION; ENERGY TRANSFER; ENTROPY; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; SOLVATION;

EID: 3543055345     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja048285t     Document Type: Article

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