
doi: 10.1063/1.1729968
Equations have been derived for the pre-exponential rate factors of abstraction reactions. The activated complex is considered as made up of three rigid groups. Classical partition functions are used and it is shown that the use of classical methods gives a simple expression which requires only a knowledge of several force-constants and bond lengths; thus the need for detailed structural information on reactants and complex and for calculations of moments of inertia and vibrational frequencies is eliminated. It is shown that quantum corrections need not be considered in many cases, although if desired, they may be estimated from a graph provided. The method is applied to four hydrogen abstraction reactions and to the reaction, CCl3Br+Br=CCl3+Br2. Satisfactory agreement is obtained.
| selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 9 | |
| popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Average | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Top 10% | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Top 10% |
