Abstract
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.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 4518-4584 |
| Number of pages | 67 |
| Journal | Chemical Reviews |
| Volume | 106 |
| Issue number | 11 |
| DOIs | |
| State | Published - Nov 2006 |