Concepedia

Single metal-doped silicon (Si59X; X = Nb, Mo, Y, Zr) nanostructured as nanosensors for N-Nitrosodimethylamine (NDMA) pollutant: Intuition from computational study

Ernest C. Agwamba, Gideon E. Mathias, Hitler Louis, Onyinye J. Ikenyirimba, Tomsmith O. Unimuke, Eze Frank Ahuekwe, Innocent Benjamin, Humphrey Dike, Kube T. Maxwell, Adedapo S. Adeyinka

Materials Today Communications · 2023 · 10 citations · 56 references

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Concepts

References

56

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

, , +12

Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1997 · 14.4K citations · Full text

, , +3

Complementarity of QTAIM and MO theory in the study of bonding in donor–acceptor complexes

Fernando Cortés‐Guzmán, R. F. W. Bader · Coordination Chemistry Reviews · 2004 · 571 citations

, , +14

Corrosion inhibitors: physisorbed or chemisorbed?

Anton Kokalj · Corrosion Science · 2021 · 330 citations · Full text

, , +15