Insight into chemical reactions from first-principles simulations: The mechanism of the gas-phase reaction of OH radicals with ketones

Journal of Physical Chemistry A

Volumn 102, Issue 20, 1998, Pages 3614-3617

  Frank, Irmgard ^a   Parrinello, Michele ^a   Klamt, Andreas ^b  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^b BAYER AG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000943543     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp980531y     Document Type: Article

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