Concepedia

Spectroscopic investigation (FTIR spectrum), NBO, HOMO–LUMO energies, NLO and thermodynamic properties of 8-Methyl-N-vanillyl-6-nonenamideby DFT methods

J. Sherin Percy Prema Leela, R. Hemamalini, S. Muthu, Abdulaziz A. Al‐Saadi

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2015 · 63 citations · 40 references

DOI

Concepts

References

40

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

Spectrometric identification of organic compounds

Robert M. Silverstein, G. Clayton Bassler · Journal of Chemical Education · 1962 · 14.3K citations

, , +12

Density-functional theory of atoms and molecules

James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations

, , +12

Generation of Optical Harmonics

P. A. Franken, Anna Hill, C. W. Peters et al. · Physical Review Letters · 1961 · 3.2K citations · Full text

, , +11