Concepedia

Synthesis, electronic structure investigation of 3-pentyl-2,6-di(furan-2-yl)piperidin-4-one by FT-IR, FT-Raman and UV–Visible spectral studies and ab initio/DFT calculations

M. Arockia doss, S. Savithiri, G. Rajarajan, V. Thanikachalam, Chinnadurai Anbuselvan

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2015 · 23 citations · 38 references

DOI

Concepts

References

38

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

The performance of a family of density functional methods

Benny G. Johnson, Peter M. W. Gill, John A. Pople · The Journal of Chemical Physics · 1993 · 1.9K citations

, , +17

Transferable Scaling Factors for Density Functional Derived Vibrational Force Fields

Guntram Rauhut, Péter Pulay · The Journal of Physical Chemistry · 1995 · 1.9K citations

, , +10

A guide to the complete interpretation of infrared spectra of organic structures

Choice Reviews Online · 1995 · 1.3K citations

, , +15

Origin of High Second- and Third-Order Nonlinear Optical Response in Ammonio/Borato Diphenylpolyene Zwitterions:  the Remarkable Role of Polarized Aromatic Groups

Victor Geskin, Christoph Lambert, Jean‐Luc Brédas · Journal of the American Chemical Society · 2003 · 532 citations

, , +17