Theoretical Study on CL-20-Based Cocrystal Energetic Compounds in an External Electric Field
Lina Hao, Jinpeng Wang, Diandian Zhai, Peng Ma, Congming Ma, Yong Pan, Juncheng Jiang
Abstract
) leads to better stability in the negative electric field. The sensitivity of cocrystal molecules decreases gradually in the negative external electric field with the increase of negative nitro group charges. Finally, the change in the bond lengths, AIM electron density values, and nitro group charges correlate well with the external electric field strengths.
Topics & Concepts
CocrystalElectric fieldMaterials scienceChemistryPhysicsQuantum mechanicsOrganic chemistryMoleculeHydrogen bondEnergetic Materials and CombustionChemical Thermodynamics and Molecular StructureThermal and Kinetic Analysis