Journal ArticleDOI
Reactions of thermal energy ions. VI. Hydrogen-transfer ion–molecule reactions involving polar molecules
TLDR
In this paper, the rate constants for formation of the protonated molecule by ion-molecule reactions in CH3OH, (CH3)2O, and CH4 have been studied both at thermal energies and at 3.4 eV ion exit energy with a new...Abstract:
The rate constants for formation of the protonated molecule by ion–molecule reactions in CH3OH, (CH3)2O, and CH4 have been studied both at thermal energies and at 3.4 eV ion exit energy with a new ...read more
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Journal ArticleDOI
Modeling the Kinetics of Bimolecular Reactions
Antonio Fernández-Ramos,James A. Miller,Stephen J. Klippenstein,Stephen J. Klippenstein,Donald G. Truhlar +4 more
TL;DR: This review is concerned with the theoretical and computational modeling of bimolecular reactions, especially with generally applicable methods for kinetics (i.e., overall rates as opposed to detailed dynamics), and includes a basic theoretical framework that can be used for gas-phase thermal reactions, gas- phase microcanonical and state-selected reactions, and condensed-phase chemical reactions.
Journal ArticleDOI
Ion-Polar molecule collisions: the effect of ion size on ion-polar molecule rate constants; the parameterization of the average-dipole-orientation theory
Timothy Su,Michael T. Bowers +1 more
TL;DR: In this paper, the average-dipole-orientation theory has been parameterized to permit determination of capture limit rate constants by reading a graph and making a simple calculation, and a graph covering the range of polarizabilities and dipole moments of most molecules is included.
Journal ArticleDOI
Statistical adiabatic channel model of ion−neutral dipole capture rate constants
TL;DR: In this paper, the statistical adiabatic channel model is applied to thermal ion-molecule reactions, which are determined by capture rates, and to ion-mite association reactions in the high pressure limit.
Journal ArticleDOI
Excitation in the radiation chemistry of inorganic gases
C. Willis,A.W. Boyd +1 more
TL;DR: In this paper, the role of excited states in the radiation chemistry of O 2, NH 3, CO, CO 2, H 2 S, H 2 O and NH 3 is discussed.
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