Concepedia

Photochromic properties of some azomaleimide derivatives and DFT quantum chemical study of thermal cis-trans isomerization pathways

Dragoş Lucian Isac, Anton Airinei, Mihaela Homocianu, Nicușor Fifere, Corneliu Cojocaru, Camelia Hulubei

Journal of Photochemistry and Photobiology A Chemistry · 2019 · 19 citations · 46 references

DOI

Concepts

References

46

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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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

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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Density-functional thermochemistry. V. Systematic optimization of exchange-correlation functionals

Axel D. Becke · The Journal of Chemical Physics · 1997 · 2K citations

, , +10

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