A correction into Theoretical prediction of the trigger linkage, cage strain and explosive sensitivity of CL-20 in the external electric fields

In order to obtain the more reliable impact sensitivities of CL-20 in the external electric fields, the calculation scheme for the sensitivities shown in the paper published in Journal of Molecular Modeling (entitled Theoretical prediction of the trigger linkage, cage strain and explosive sensitivity of CL-20 in the external electric fields) was re-evaluated. We found that the model with the averages of the surface electrostatic potentials (ESPs) ((V) over bar S and (V) over bar (S)) may be more suitable for predicting the impact sensitivity of the cage-shaped CL-20 than those containing the variabilities of the surface ESPs (sigma(2)(+) + and sigma(2)(-)) or the balance of charges (nu).

Automated summary

The study re-evaluated the calculation scheme for impact sensitivities of CL-20 in external electric fields and found that using the averages of surface electrostatic potentials may be more suitable for predicting impact sensitivity.