Concepedia

Structural, topological, vibrational, and electronic analysis, and ADMET study of methyl-2-(4-isobutylphenyl)propanoate

Maria R. Xavier, Márcia Machado Marinho, Murilo Sérgio da Silva Julião, Emmanuel Silva Marinho, Francisco Wagner Queiroz Almeida-Neto, Kevin K.A. de Castro, João Pedro da Hora, Matheus Nunes da Rocha, Antônio César Honorato Barreto, Gilberto D. Saraiva,

Journal of Molecular Structure · 2024 · 16 citations · 53 references

DOI

Concepts

References

53

Multiwfn: A multifunctional wavefunction analyzer

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

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<b>Hard and Soft Acids and Bases</b>

Ralph G. Pearson · Journal of the American Chemical Society · 1963 · 10.2K citations

, , +5

Absolute hardness: companion parameter to absolute electronegativity

Robert G. Parr, Ralph G. Pearson · Journal of the American Chemical Society · 1983 · 7.8K citations

, , +6

Electrophilicity Index

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

, , +3

Bonded-atom fragments for describing molecular charge densities

F. L. Hirshfeld · Theoretical Chemistry Accounts · 1977 · 6.9K citations

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