Concepedia

Favipiravir attachment to a conical nanocarbon: DFT assessments of the drug delivery approach

Kun Harismah, Seyed Abbas Shahrtash, Azar Arabi, Ramona Khadivi, M. Mirzaei, Reza Akhavan‐Sigari

Computational and Theoretical Chemistry · 2022 · 13 citations · 48 references

DOI

Concepts

References

48

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations

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cclib: A library for package‐independent computational chemistry algorithms

Noel M. O’Boyle, Adam L. Tenderholt, Karol M. Langner · Journal of Computational Chemistry · 2007 · 6.1K citations

, , +6

6-31G* basis set for atoms K through Zn

Vitaly A. Rassolov, John A. Pople, Mark A. Ratner et al. · The Journal of Chemical Physics · 1998 · 2.1K citations

, , +15

Perspective on density functional theory

The Journal of Chemical Physics · 2012 · 1.6K citations · Full text

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Nanomaterial by Sol‐Gel Method: Synthesis and Application

Dmitry Olegovich Bokov, Abduladheem Turki Jalil, Supat Chupradit et al. · Advances in Materials Science and Engineering · 2021 · 1.4K citations · Full text

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