Concepedia

PVP oxime-TiO2-adenine as a hybrid material: Decent synthesis and depiction with advanced theoretical measurements for anticorrosive behavior and antibacterial potentiality

Nisha Saini, Priti Pahuja, Hassane Lgaz, Ill-Min Chung, Krishan K. Selwal, Sushila Singhal, Suman Lata

Journal of Molecular Liquids · 2019 · 26 citations · 63 references

DOI

Concepts

References

63

From molecules to solids with the DMol3 approach

B. Delley · The Journal of Chemical Physics · 2000 · 10.9K citations · Full text

, , +12

Electrophilicity Index

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

, , +3

Density functional approach to the frontier-electron theory of chemical reactivity

Robert G. Parr, Weitao Yang · Journal of the American Chemical Society · 1984 · 3.6K citations

, , +8

Absolute electronegativity and hardness: application to inorganic chemistry

Ralph G. Pearson · Inorganic Chemistry · 1988 · 3.4K citations

, , +5

Hard and soft acids and bases—the evolution of a chemical concept

Ralph G. Pearson · Coordination Chemistry Reviews · 1990 · 873 citations

, , +9