Concepedia

FT-IR, FT-Raman and UV spectroscopic investigation, electronic properties, electric moments, and NBO analysis of anethole using quantum chemical calculations

Leena Sinha, Onkar Prasad, Satish Chand, Alok K. Sachan, Shilendra K. Pathak, Vikas Shukla, M. Karabacak, Abdullah M. Asiri

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 27 citations · 42 references

DOI

Concepts

References

42

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

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

, , +13

cclib: A library for package‐independent computational chemistry algorithms

Noel M. O’Boyle, Adam L. Tenderholt, Karol M. Langner · Journal of Computational Chemistry · 2007 · 6.1K citations

, , +6

Natural hybrid orbitals

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

, , +10

Frontier Orbitals and Organic Chemical Reactions

Journal of Molecular Structure · 1979 · 3.4K citations

, , +13

Introduction to infrared and Raman spectroscopy

Upali A. Jayasooriya · Spectrochimica Acta Part A Molecular Spectroscopy · 1991 · 3K citations

, , +12