Abstract
In this theory a chemical reaction is treated as a quantum transition from reactants to products. The approach leads to a Franck–Condon‐like factor for the evaluation of product energy distributions. Second‐quantization representation is used to enable a Hamiltonian for reaction to be defined. A specific adiabatic method is used to describe the dynamics of nuclear motion. The theory is applied to the reactions HO + D → OD + H and ClI + D → Cl + ID. Polyatomic photodissociation can also be treated by a similar formalism.
| Original language | English |
|---|---|
| Pages (from-to) | 691-700 |
| Number of pages | 10 |
| Journal | International Journal of Quantum Chemistry |
| Volume | 26 |
| Issue number | 18 S |
| DOIs | |
| State | Published - 1984 |
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