Concepedia

Theoretical and experimental study of a new antioxidant xanthone: Solvent and intramolecular hydrogen bond effects

Neidy S. S. dos Santos, Hellen Bertoletti Barbieri, Marcelo Maia Pinheiro, Taícia Pacheco Fill, Murillo H. Queiroz, João Pina, Ezequiel Belo, Herbert C. Georg, Antônio R. da Cunha, Patrícia Santana Barbosa Marinho,

Journal of Molecular Liquids · 2024 · 11 citations · 44 references

DOI

Concepts

References

44

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

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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

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

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Multiwfn: A multifunctional wavefunction analyzer

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

, , +15

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

S. H. Vosko, L. Wilk, Marwan Nusair · Canadian Journal of Physics · 1980 · 20.7K citations · Full text

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