Concepedia

Molecular Structure, Spectroscopic (FT-IR, FT-Raman, 13C and 1H NMR) Analysis, HOMO-LUMO Energies, Mulliken, MEP and Thermal Properties of New Chalcone Derivative by DFT Calculation

M. Krishna Priya, B.K. Revathi, V. Renuka, S. Siva Sathya, P. Samuel Asirvatham

Materials Today Proceedings · 2019 · 114 citations · 26 references

DOI

Concepts

References

26

Advanced inorganic chemistry

Choice Reviews Online · 1999 · 14.3K citations

, , +7

Density-functional theory of atoms and molecules

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

, , +12

<b>Hard and Soft Acids and Bases</b>

Ralph G. Pearson · Journal of the American Chemical Society · 1963 · 10.2K citations

, , +5

Absolute hardness: companion parameter to absolute electronegativity

Robert G. Parr, Ralph G. Pearson · Journal of the American Chemical Society · 1983 · 7.8K citations

, , +6

Advanced inorganic chemistry

W.J. Orville-Thomas · Journal of Molecular Structure · 1973 · 6.8K citations

, , +7