Concepedia

Drug delivery potential of carbon and boron nitride nanotubes: A DFT-D3 analysis of curcumin binding interactions

Lina Linda Bechohra, Mustafa Kurban, Nor El Houda Medigue, Safia Kellou‐Taïri

Diamond and Related Materials · 2024 · 25 citations · 52 references

DOI

Concepts

References

52

Generalized Gradient Approximation Made Simple

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

, , +16

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

, , +14

Helical microtubules of graphitic carbon

Sumio Iijima · Nature · 1991 · 42.8K citations

, , +5

Effect of the damping function in dispersion corrected density functional theory

Stefan Grimme, Stephan Ehrlich, Lars Goerigk · Journal of Computational Chemistry · 2011 · 27.1K citations

, , +10

<i>VESTA 3</i> for three-dimensional visualization of crystal, volumetric and morphology data

Koichi Momma, Fujio Izumi · Journal of Applied Crystallography · 2011 · 25.2K citations

, , +10