Browsing by Subject "B3LYP/LanL2DZ"
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Article
Structural and electronic properties of bare and capped Cd nSe n/Cd nTe n Nanoparticles (n = 6, 9)
(2012)Relationships between structures and properties (energy gaps, vertical ionization potentials (IP v), vertical electron affinities (EA v), and ligand binding energies) in small capped CdSe/CdTe nanoparticles (NPs) are poorly ...