Concepedia

Adsorption behaviour of metronidazole drug molecule on the surface of hydrogenated graphene, boron nitride and boron carbide nanosheets in gaseous and aqueous medium: A comparative DFT and QTAIM insight

Md. Rakib Hossain, Md. Mehade Hasan, Noor–E- Ashrafi, Hamidur Rahman, Mohammad Sadiqur Rahman, Farid Ahmed, Tahmina Ferdous

Physica E Low-dimensional Systems and Nanostructures · 2020 · 111 citations · 86 references

DOI

Concepts

References

86

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

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Electric Field Effect in Atomically Thin Carbon Films

Kostya S. Novoselov, A. K. Geǐm, Da Jiang et al. · Science · 2004 · 66.1K citations · Full text

, , +17

Density-functional exchange-energy approximation with correct asymptotic behavior

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

, , +17

The rise of graphene

A. K. Geǐm, Kostya S. Novoselov · Nature Materials · 2007 · 39.5K citations

, , +9

Two-dimensional gas of massless Dirac fermions in graphene

Kostya S. Novoselov, A. K. Geǐm, Da Jiang et al. · Nature · 2005 · 21.4K citations · Full text

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