Concepedia

Synthesis, spectroscopic characteristics, dyeing performance and TD-DFT study of quinolone based red emitting acid azo dyes

Suvidha Shinde, Nagaiyan Sekar

Dyes and Pigments · 2019 · 56 citations · 60 references

DOI

Concepts

References

60

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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Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

, , +17

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

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Electrophilicity Index

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

, , +3

On the Mechanism of the cis−trans Isomerization in the Lowest Electronic States of Azobenzene:  S<sub>0</sub>, S<sub>1</sub>, and T<sub>1</sub>

Alessandro Cembran, Fernando Bernardi, Marco Garavelli et al. · Journal of the American Chemical Society · 2004 · 515 citations · Full text

, , +17