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Mixed quantum-classical reaction path dynamics of HCl elimination from chloroethane.
J Phys Chem A. 2010 Apr 1;114(12):4304-12. doi: 10.1021/jp9072679.
J Phys Chem A. 2010.
PMID: 20184330
Mixed quantum-classical reaction path dynamics of C2H5F --> C2H4 + HF.
Stopera CJ, Bladow LL, Thweatt WD, Page M.
Stopera CJ, et al. Among authors: bladow ll.
J Phys Chem A. 2008 Nov 20;112(46):11931-41. doi: 10.1021/jp806071g. Epub 2008 Oct 25.
J Phys Chem A. 2008.
PMID: 18950141
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