Concepedia

Influence of acetyl, hydroxy and methyl functional groups on 2-phenylbutanoic acid by quantum computational, spectroscopic and ligand-protein docking studies

BR. Raajaraman, N. R. Sheela, S. Muthu

Journal of Molecular Structure · 2019 · 25 citations · 26 references

DOI

Concepts

References

26

A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

Takeshi Yanai, David P. Tew, Nicholas C. Handy · Chemical Physics Letters · 2004 · 14.8K citations

, , +12

Density-Functional Theory for Time-Dependent Systems

Erich Runge, E. K. U. Gross · Physical Review Letters · 1984 · 8.8K citations

, , +14

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

Excitation Energies from Time-Dependent Density-Functional Theory

Martin Petersilka, U. J. Gossmann, E. K. U. Gross · Physical Review Letters · 1996 · 1.7K citations

, , +16

Spectroscopic Identification of Organic Compounds

Adel Μ. Awadallah · 2020 · 1.3K citations

, , +7