Cross sections for electron-molecule collisions can be easily and rapidly obtained by using Quantemol-N. Quantemol-N applies quantum molecular physics computer codes to provide the world’s most powerful tool to investigate the scattering of electrons from molecules and complex electron-transfer reactions.
What does the Quantemol-N code do?
It calculates a variety of observables for electron molecule collisions including:-
- Elastic cross sections
- Excitation and dissociation cross sections
- Momentum transfer cross sections
- Rates
- Eigenphase sums
- Resonance parameters
What are the key advantages of Quantemol-N?
- Based on the world leading UK molecular R-matrix code:
see recent study on the CF3 radical (stacks.iop.org.1367-
2630/5/155). - Easy to use Java graphical interface.
- Results presented in a flexible, user friendly form.
What range of problems can be tackled with Quantemol-N?
- Closed shell molecules.
- Open shell molecules, ‘radicals’.
- Neutral and positively charged species.
- Molecules with up to 17 atoms tested.
