Concepedia

Theoretical assessment of the influences of aromatic bridges on molecular second order nonlinear optical responses of Donor-Bridge-Acceptor types of molecular organic chromophores

Divya Pant, Nagasuneetha Darla, Sanyasi Sitha

Computational and Theoretical Chemistry · 2021 · 31 citations · 55 references

DOI

Concepts

References

55

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

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

New Developments in Molecular Orbital Theory

Clemens Roothaan · Reviews of Modern Physics · 1951 · 5.5K citations

, , +14

Finer features for functional microdevices

Satoshi Kawata, Hong‐Bo Sun, Tomokazu Tanaka et al. · Nature · 2001 · 2.8K citations

, , +12