Density functional calculations for Mgn+ clusters
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.473096
Reference11 articles.
1. Electron spin resonance investigation of small magnesium cluster cation radicals, Mg+N, in neon and argon matrices at 4 K: Comparison with ab initio calculations
2. Structure and stability of Mg+n and Mg++n clusters (n≤7)
3. Pseudopotential local-spin-density studies of neutral and chargedMgn(n≤7) clusters
4. Accurate density functional theory study of cationic magnesium clusters and Mg+–rare gas interactions
5. Electron‐spin‐resonance studies of 12CH3F+, 13CH3F+, and 12CH2DF+ in neon matrices at 4 K: Comparison with theoretical calculations
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2. Computational exploration of gallium-doped neutral and anionic magnesium nanocluster materials: Ga2Mgnq (n = 1–11; q=0, −1) nanocluster’s properties based on DFT;Materials Today Communications;2021-12
3. A computational study of N2 adsorption on aromatic metal Mg16M;(M=Be, Mg, and Ca) nanoclusters;Journal of Molecular Graphics and Modelling;2021-06
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5. Thermodynamics of Metal Nanoparticles: Energies and Enthalpies of Formation of Magnesium Clusters and Nanoparticles as Large as 1.3 nm;The Journal of Physical Chemistry C;2016-11-07
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