Density functional theory study of CL-20/Nitroimidazoles energetic cocrystals in an external electric field
Xiaosong Xu, Renfa Zhang, Wenxin Xia, Peng Ma, Congming Ma, Yong Pan, Juncheng Jiang
Topics & Concepts
ChemistryHOMO/LUMOElectric fieldImidazoleDensity functional theorySensitivity (control systems)Dissociation (chemistry)Molecular orbitalNitroBond-dissociation energyCharge (physics)Computational chemistryPhysical chemistryStereochemistryMoleculePhysicsOrganic chemistryQuantum mechanicsEngineeringAlkylElectronic engineeringEnergetic Materials and CombustionCombustion and Detonation ProcessesRocket and propulsion systems research