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Density functional theory for nanomaterials: structural and spectroscopic applications—a review

Ansa Latif, Anam Latif, Muhammad Mohsin, Ijaz Ahmad Bhatti

2025Journal of Molecular Modeling19 citationsDOI

Topics & Concepts

Density functional theoryNanomaterialsNanotechnologyBand gapNatural bond orbitalMaterials scienceComputational chemistryComputer scienceStatistical physicsChemistryPhysicsOptoelectronicsGold and Silver Nanoparticles Synthesis and ApplicationsQuantum Dots Synthesis And PropertiesAdvanced Physical and Chemical Molecular Interactions
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