Quantum-chemical calculations by the MNDO method of the pre-exponential factor for the homolytic decomposition of aliphatic nitro and α-fluoronitro compounds in the gas phase

The MNDO method has been used to calculate the pre-exponential factor A for the homolytic decomposition of aliphatic nitro and α-fluoronitro compounds. It is shown that the high value of A is due to the decrease in the frequencies of the deformation vibrations in the activated complexes.