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Hydrogen structures tunneling reactions

Corrections for H-atom tunnelling are applied for the intramolecular hydrogen atom transfer reactions of the transition state structures using Wigner 2" order correction [198]. In this study the rate constants of three of our calculated transition states, TSPH OOH and TSC C4DO and TSCDCC DO identified in Table 6.3, are corrected for H-atom tunnelling. [Pg.106]


See other pages where Hydrogen structures tunneling reactions is mentioned: [Pg.409]    [Pg.30]    [Pg.39]    [Pg.42]    [Pg.397]    [Pg.397]    [Pg.8]    [Pg.41]    [Pg.397]    [Pg.166]    [Pg.489]    [Pg.442]    [Pg.59]    [Pg.11]    [Pg.58]    [Pg.35]    [Pg.40]    [Pg.145]    [Pg.97]    [Pg.32]    [Pg.105]    [Pg.105]    [Pg.117]    [Pg.42]    [Pg.242]    [Pg.821]    [Pg.45]    [Pg.33]    [Pg.187]    [Pg.44]    [Pg.131]    [Pg.407]    [Pg.419]    [Pg.156]    [Pg.144]    [Pg.30]    [Pg.46]    [Pg.47]    [Pg.30]    [Pg.48]    [Pg.426]    [Pg.174]    [Pg.75]    [Pg.432]    [Pg.512]    [Pg.218]    [Pg.10]    [Pg.293]   
See also in sourсe #XX -- [ Pg.413 , Pg.422 ]




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