Oxidation of ethyne and But-2-yne. 2. Master equation simulations.
Maranzana A, Barker JR, Tonachini G.
Maranzana A, et al.
J Phys Chem A. 2008 Apr 24;112(16):3666-75. doi: 10.1021/jp077180k. Epub 2008 Mar 18.
J Phys Chem A. 2008.
PMID: 18345649
The details of the potential energy hypersurface have been discussed in a previous article [Maranzana et al., J. Phys. Chem. A 2008, 112, XXXX]. ...Two reaction channels are responsible for acetic acid formation, but one is clearly dominant. Biacetyl is produ …
The details of the potential energy hypersurface have been discussed in a previous article [Maranzana et al., J. Phys. Chem. …