Concepedia

FT-IR and Raman vibrational analysis, B3LYP and M06-2X simulations of 4-bromomethyl-6-tert-butyl-2H-chromen-2-one

Yusuf Sert, K. Puttaraju, Sema Keskinoğlu, Kalegowda Shivashankar, Fatih Ucun

Journal of Molecular Structure · 2014 · 20 citations · 37 references

DOI

Concepts

References

37

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text

, , +17

Introduction to infrared and Raman spectroscopy

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

, , +12

Infrared characteristic group frequencies

Marek Goldstein · Endeavour · 1981 · 2.6K citations

, , +8

Infrared spectral interpretation: a systematic approach

Choice Reviews Online · 1999 · 2K citations

, , +16

Vibrational Energy Distribution Analysis (VEDA): Scopes and limitations

Michał H. Jamróz · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 1.4K citations

, , +7