ACS Omega · 2020 · 59 citations · 39 references
Natural SciencesChemistryMaterials ScienceComputational ChemistryCrystal StructureInorganic ChemistryCrystal ChemistryCrystal EngineeringIntermolecular ForcesMolecular Orbital TheoryCrystal Field Effects In Solid-state MaterialsCrystal Lattice EnergeticsCrystal Structure-property RelationshipsCrystal-field EffectsDensity Functional Perturbation TheoryElectronic Structure AnalysisLigand-binding Energetics
) 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.
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High Power Explosive with Good Sensitivity: A 2:1 Cocrystal of CL-20:HMX
Onas Bolton, Leah R. Simke, Philip F. Pagoria et al. · Crystal Growth & Design · 2012 · 568 citations