Concepedia

An investigation on the key features of a D–π–A type novel chalcone derivative for opto-electronic applications

Mohd. Shkir, Shabbir Muhammad, S. AlFaify, Ahmad Irfan, P. S. Patil, Manju Arora, H. Algarni, Zhang Jingping

RSC Advances · 2015 · 123 citations · 86 references

DOI

Concepts

Abstract

The calculated UV-visible optical spectra at different levels of theory.

References

86

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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

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

, , +13

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

From molecules to solids with the DMol3 approach

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

, , +12

Electron transfers in chemistry and biology

R. A. Marcus, Norman Sutin · Biochimica et Biophysica Acta (BBA) - Reviews on Bioenergetics · 1985 · 8K citations

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