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Applications

Quantemol modelling tools are suitable for modelling both diatomic and polyatomic electron-molecule interactions. These have a wide range of industry applications, notable examples of which are:

1. The etching of semiconductor materials utilises molecules that do not react with silicon surfaces unless they are subjected to electronic collisions. – These produce highly reactive radicals and ions in the low-temperature plasmas used in plasma etching and in plasma-enhanced chemical vapour deposition.

2. In industry, CO2 lasers require electron impact excitation of vibrational and rotational states of the CO2 and N2 to lase (Demaria 1979); hence an accurate knowledge of the relevant cross-sections is necessary for modelling and optimisation of the laser system.

3. In material science, electron scattering is used to probe the structure of materials such as molecular crystals (Dorset 1996).

4. Electrons in radioactive and chemical waste are responsible for much of the chemistry that determines how these chemicals age and change.

5. Electron collisions create the reactive molecular fragments in the plasma devices which are used to destroy undesirable compounds or remediate NOx in combustion exhaust.

6. Evaluation of electron-molecule collision is of considerable environmental importance.

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