Concepedia

Synthesis, biological evaluation, density functional calculation and molecular docking analysis of novel spiropyrrolizidines derivatives as potential anti-microbial and anti-coagulant agents

Sonia Askri, Hayet Edziri, Manel Ben Hamouda, Chadlia Mchiri, Rafik Gharbi, Hala H. Abd El‐Gawad, Mohsen M. T. El‐Tahawy

Journal of Molecular Structure · 2021 · 12 citations · 40 references

DOI

Concepts

References

40

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

, , +17

A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics

Éric Cancès, Benedetta Mennucci, J. Tomasi · The Journal of Chemical Physics · 1997 · 6.8K citations

, , +17

A complete basis set model chemistry. I. The total energies of closed-shell atoms and hydrides of the first-row elements

George A. Petersson, Andrew F. Bennett, Thomas G. Tensfeldt et al. · The Journal of Chemical Physics · 1988 · 3.1K citations

, , +13

Quantum Density Oscillations in an Inhomogeneous Electron Gas

W. Kohn, L. J. Sham · Physical Review · 1965 · 671 citations

, , +10

Recent Advances on the Synthesis and Reactivity of Isoxazoles

Teresa M. V. D. Pinho e Melo · Current Organic Chemistry · 2005 · 288 citations

, , +14