Ionization potentials, electron affinities, and vibrational frequencies of Ge n (n=5–10) neutrals and charged ions from density functional theory
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چکیده
منابع مشابه
Investigation of Structural and Optoelectronic Properties of Sc2O3 Nanoclusters: A DFT Study
In this manuscript, density functional theory was used to explore structural, vibrational and optical properties of the (Sc2O3)n (n=1-5) cluster systems using DFT/B3LYP/LanL2DZ level of computation. Different stable isomers were obtained and numerous chemical parameters such as HOMO-LUMO gap, ionization potential and electron affinity were calculated successfully. Stability of the clusters was ...
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