Add time:08/03/2019         Source:sciencedirect.com

The magnetic property and electronic properties such as ionization potentials and electron affinities of the Nin (n ⩽ 30) neutral and ionic clusters have been studied using the density functional theory calculations with the PBE exchange–correlation energy functional. The variations of the calculated magnetic and ionization potential behaviors of the neutral Nin (n ⩽ 30) clusters are in good agreement with the experimental data. The tendency of the calculated electron affinity is generally consistent with but has small deviations from the experimental results.

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