Concepedia

Structure and nonlinear optical property analysis of l-Methioninium Oxalate: A DFT approach

G. Edwin Sheela, D. Manimaran, I. Hubert Joe, Sherifa Rahim, V. Bena Jothy

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2015 · 27 citations · 34 references

DOI

Concepts

References

34

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

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

, , +17

van der Waals Volumes and Radii

A. Bondì · The Journal of Physical Chemistry · 1964 · 19.2K citations

, , +8

Spectrometric identification of organic compounds

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

, , +12

Natural hybrid orbitals

J. P. Foster, Frank Weinhold · Journal of the American Chemical Society · 1980 · 5K citations

, , +10