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Systematic study of the structure-property relationship of C24N24 nanoclusters for the detection and electrochemical sensing of chemical warfare agents: Molecular modelling at DFT level

Minahil Ishtiaq, Muhammad Usman Khan, Abdul Hamid, Junaid Yaqoob, Riaz Hussain, Amjad Ali, Abrar U. Hassan, Saad M. Alshehri

2024Journal of Molecular Structure15 citationsDOI

Topics & Concepts

ChemistryNanoclustersPhosgeneElectrophileAdsorptionReactivity (psychology)ChlorineHOMO/LUMONanotechnologyOxidePhotochemistryComputational chemistryMoleculeOrganic chemistryMaterials scienceAlternative medicineCatalysisPathologyMedicineEnergetic Materials and CombustionPesticide Exposure and ToxicityComputational Drug Discovery Methods
Systematic study of the structure-property relationship of C24N24 nanoclusters for the detection and electrochemical sensing of chemical warfare agents: Molecular modelling at DFT level | Litcius