Concepedia

PAMAM and polyester dendrimers as favipiravir nanocarriers: a comparative study using DFT method

Sekineh Bazyari-Delavar, Farideh Badalkhani‐Khamseh, Azadeh Ebrahim‐Habibi, Nasser L. Hadipour

Journal of Nanoparticle Research · 2021 · 37 citations · 39 references

DOIFull text

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Concepts

References

39

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text

, , +17

General atomic and molecular electronic structure system

Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.2K citations

, , +17

Electrophilicity Index

Robert G. Parr, László von Szentpály, Shubin Liu · Journal of the American Chemical Society · 1999 · 7.3K citations

, , +3

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

Density functional theory with London dispersion corrections

Stefan Grimme · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 2.8K citations

, , +12