Possibility of the magnetic field effect on the thermal decomposition of N2O: molecular dynamics simulation

Molecular dynamics (MD) model calculations for the thermal decomposition of N2O with external magnetic field were performed. The effect of external magnetic field was modeled by parameterization of the interaction term between the singlet and triplet potential surfaces. It was suggested that the increase of the rate constant by external magnetic field could be explained by means of the increase of interaction term which is dependent on the angle of the Jacobi coordinate.