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

JOURNAL OF MOLECULAR MODELING(2021)

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Abstract
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_S^+ and V_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 ( σ_+^2 and σ_-^2 ) or the balance of charges ( ν ).
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Key words
External electric field,Impact sensitivity,Surface electrostatic potential,CL-20
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