Concepedia

3d-transition metals (Cu, Fe, Mn, Ni, V and Zn)-doped pentacene π-conjugated organic molecule for photovoltaic applications: DFT and TD-DFT calculations

İskender Muz, Fahrettin Göktaş, Mustafa Kurban

Theoretical Chemistry Accounts · 2020 · 38 citations · 39 references

DOI

Concepts

References

39

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 · 98.6K citations

, , +14

A new mixing of Hartree–Fock and local density-functional theories

Axel D. Becke · The Journal of Chemical Physics · 1993 · 16.2K citations

A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

Takeshi Yanai, David P. Tew, Nicholas C. Handy · Chemical Physics Letters · 2004 · 14.4K citations

, , +6

Absolute hardness: companion parameter to absolute electronegativity

Robert G. Parr, Ralph G. Pearson · Journal of the American Chemical Society · 1983 · 7.6K citations

, , +16

Organic Thin Film Transistors for Large Area Electronics

Christos Dimitrakopoulos, Patrick R. L. Malenfant · Advanced Materials · 2002 · 4.8K citations

, , +15