Concepedia

Anharmonic vibrational and electronic spectral study of 2-amino-4-hydroxy-6–methylpyrimidine: A combined experimental (FTIR, FT-Raman, UV–Vis) and theoretical (DFT, MP2) approach

Mohd Faizan, Sheeraz Ahmad Bhat, Mohammad Jane Alam, Ziya Afroz, Shabbir Ahmad

Journal of Molecular Structure · 2017 · 26 citations · 59 references

DOI

Concepts

References

59

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

General atomic and molecular electronic structure system

Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.2K citations

, , +17

Harmonic Vibrational Frequencies:  An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors

Anthony P. Scott, Leo Radom · The Journal of Physical Chemistry · 1996 · 6.7K citations

, , +14

Introduction to infrared and Raman spectroscopy

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

, , +12