Concepedia

Natural bond orbital analysis, electronic structure, non-linear properties and vibrational spectral analysis of l-histidinium bromide monohydrate: A density functional theory

D. Sajan, Lynnette Joseph, N. Vijayan, M. Karabacak

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2011 · 203 citations · 71 references

DOI

Concepts

References

71

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Accurate and simple analytic representation of the electron-gas correlation energy

John P. Perdew, Yue Wang · Physical review. B, Condensed matter · 1992 · 24.9K citations

, , +14

Advanced inorganic chemistry

Choice Reviews Online · 1999 · 14.3K citations

, , +7

Spectrometric identification of organic compounds

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

, , +12

Natural population analysis

Alan E. Reed, Robert B. Weinstock, Frank Weinhold · The Journal of Chemical Physics · 1985 · 9.8K citations

, , +4