Concepedia

Photophysical and nonlinear optical properties of para-substituted nitrobenzofurazan: A comprehensive DFT investigation

Imen Chérif, Hanen Raissi, Khouloud Abiedh, Bouzid Gassoumi, Maria Teresa Caccamo, Salvatore Magazù, Ayoub Haj Saı̈d, F. Hassen, Taoufik Boubaker, Sahbi Ayachi

Journal of Photochemistry and Photobiology A Chemistry · 2023 · 36 citations · 81 references

DOI

Concepts

References

81

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

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

, , +12

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations

, , +15

Revealing Noncovalent Interactions

Erin R. Johnson, Shahar Keinan, Paula Mori‐Sánchez et al. · Journal of the American Chemical Society · 2010 · 9.3K citations

, , +17