Concepedia

Theoretical investigation of emodin conjugated doped B12N12 nanocage by means of DFT, QTAIM and PCM analysis

Siraj Ud Daula Shamim, Md. Helal Miah, Md. Rakib Hossain, Md. Mehade Hasan, Md. Kamal Hossain, Md. Rakib Hossain, Farid Ahmed

Physica E Low-dimensional Systems and Nanostructures · 2021 · 59 citations · 57 references

DOI

Concepts

References

57

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 · 98.6K citations

, , +14

Electric Field Effect in Atomically Thin Carbon Films

Kostya S. Novoselov, A. K. Geǐm, Da Jiang et al. · Science · 2004 · 65.1K citations · Full text

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 64.1K citations

, , +5

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 52.9K citations

, , +17

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 39.7K citations

, , +17