D. M. Golden; G. P. Smith; A. B. McEwen; C. L. Yu; B. Eiteneer; M. Frenklach; G. L. Vaghjiani; A. R. Ravishankara; F. P. Tully, The Journal of Physical Chemistry A 1998, 102, (44), 8598-8606, Table 1, Series A: 4.0% H2-0.5% O2-3.0% CO2-Ar
Accurate determination of transition states is central to an understanding of reaction kinetics. Double-endpoint methods where both initial and final states are...
The article addresses the implications of adopting (a) non-kinetic theory-based correlations for the estimation of thermodynamic and transport properties and (b) over-simplifying assumptions, as repor
