A review of the theoretical and computational modeling of bimolecular reactions is given. The review is divided into several sections which are as follows: gas-phase thermal reactions; gas-phase state-selected reactions and product state distributions; and condensed-phase bimolecular reactions. The section on gas-phase thermal reactions covers the enthalpies and free energies of reaction, kinetics, saddle points and potential energy surfaces, rate theory for simple barrier reactions and bimolecular reactions over potential wells. The section on gas-phase state-selected reactions focuses on electronically adiabatic reactions and electronically nonadiabatic reactions. Finally, the section on condensed-phase bimolecular reactions covers reactions in liquids, reactions on surfaces and in solids and tunneling at low temperature.

Modeling the Kinetics of Bimolecular Reactions

Ion-Polar molecule collisions: the effect of ion size on ion-polar molecule rate constants; the parameterization of the average-dipole-orientation theory

Statistical adiabatic channel model of ion−neutral dipole capture rate constants

Excitation in the radiation chemistry of inorganic gases

Chapter 3 – Classical ion–molecule collision theory

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 ...

J. J. Myher

Papers

Reactions of thermal energy ions. VI. Hydrogen-transfer ion–molecule reactions involving polar molecules