Concepedia

New five-coordinated mercury (II) dyes based on a novel 2,2′:6′,2″-terpyridine ligand: Structures, photophysical properties and DFT calculations to evaluate the halogen effect on the two-photon absorption

Hongping Zhou, Jianqing Wang, Fei-Xia Zhou, Dongling Xu, Yuanle Cao, Gang Liu, Lin Kong, Jiaxiang Yang, Jieying Wu, Yupeng Tian

Dyes and Pigments · 2012 · 10 citations · 34 references

DOI

Concepts

References

34

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

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

, , +13

Density-functional exchange-energy approximation with correct asymptotic behavior

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

, , +17

Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

Warren J. Hehre, R. Ditchfield, John A. Pople · The Journal of Chemical Physics · 1972 · 15.8K citations

, , +16

Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory

Rüdiger Bauernschmitt, Reinhart Ahlrichs · Chemical Physics Letters · 1996 · 5.7K citations

, , +15

Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold

Mark E. Casida, Christine Jamorski, Kim C. Casida et al. · The Journal of Chemical Physics · 1998 · 5K citations

, , +9