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Overview
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For research:
Model mass spectrometric processes and to calculate ion abundances |
| Model collisional and radiative energy exchange (excitation/cooling) |
Provide connection between mass spectrometry & thermodynamics |
| Study non-equilibrium reaction kinetics |
For education:
For teaching mass spectrometry, to demonstrate internal energy effects, create interest in MS using computer simulations |
| For teaching and illustrating basic reaction kinetics |
Main features:
Calculations require molecular parameters (experimental or theoretical), definition of experimental conditions and very few adjustable parameters. The results are very accurate (see references). |
| The program is easy to use, runs under Windows |
Screenshots: