Concepedia

Investigating the stability of icosahedral Ni13–xCux (x = 1–12) bimetallic nanoclusters supported on defective graphene: Insights from first-principles calculations

F. Montejo‐Alvaro, H. Rojas‐Chávez, R. Herrera-Rivera, A.I. Mtz-Enríquez, H. Cruz‐Martínez, Dora I. Medina

Physica E Low-dimensional Systems and Nanostructures · 2019 · 12 citations · 41 references

DOI

Concepts

References

41

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

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Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations

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Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

Florian Weigend, Reinhart Ahlrichs · Physical Chemistry Chemical Physics · 2005 · 29.9K citations

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The ORCA program system

Frank Neese · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 13.1K citations

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Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects

Francesca Baletto, Riccardo Ferrando · Reviews of Modern Physics · 2005 · 1.8K citations · Full text

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