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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: