Concepedia

Synthesis and DFT studies of the structure - NLO activity evaluation of 2-(4-methoxyphenyl)-1,4,5-triphenyl-2,5-dihydro-1H-imidazole

Rajeev T. Ulahannan, V. Kannan, V.M. Vidya, K. Sreekumar

Journal of Molecular Structure · 2019 · 30 citations · 38 references

DOI

Concepts

References

38

Generalized Gradient Approximation Made Simple

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

, , +16

Toward reliable density functional methods without adjustable parameters: The PBE0 model

Carlo Adamo, Vincenzo Barone · The Journal of Chemical Physics · 1999 · 18.9K citations

, , +9

Electron transfer reactions in chemistry. Theory and experiment

R. A. Marcus · Reviews of Modern Physics · 1993 · 3.6K citations · Full text

, , +14

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

Role of Frontier Orbitals in Chemical Reactions

Kenichi Fukui · Science · 1982 · 2.7K citations

, , +13