Effect of energy dependence of the density of states on pressure-dependent rate constants

The F E integral for the normalized Boltzmann-weighted number of unimolecular states above the threshold energy is the key quantity for computing the collision efficiency in the pressure-dependent unimolecular rate theory developed by Troe, who calls this the energy dependence factor of the density...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2018-12, Vol.2 (48), p.3475-3479
Hauptverfasser:	Bao, Junwei Lucas, Truhlar, Donald G
Format:	Artikel
Sprache:	eng
Schlagworte:	Collision dynamics Computing time Density of states Efficiency Energy transfer Mathematical analysis Pressure dependence Pressure effects Rate constants Rate theory
Online-Zugang:	Volltext
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