Concepedia

Quantum chemical analysis on supramolecular assemblies of guanidinium tetrafluoroborate (GFB) crystal structure: Emission and NLO behavior

S. Nandhini, S. Muniyappan, Venkadeshkumar Ramar, Karthikeyan Balasubramanian, P. Murugakoothan

Journal of Molecular Structure · 2019 · 12 citations · 40 references

DOI

Concepts

References

40

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

Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, <i>Z</i>=11–18

A. D. McLean, G. S. Chandler · The Journal of Chemical Physics · 1980 · 9.7K citations

, , +13

Electrophilicity Index

Robert G. Parr, László von Szentpály, Shubin Liu · Journal of the American Chemical Society · 1999 · 7.3K citations

, , +3

Absolute electronegativity and hardness: application to inorganic chemistry

Ralph G. Pearson · Inorganic Chemistry · 1988 · 3.4K citations

, , +5

Wave-Number-Dependent Dielectric Function of Semiconductors

David R. Penn · Physical Review · 1962 · 2.9K citations

, , +16