Concepedia

Vibrational assignment of the spectral data, molecular dipole moment, polarizability, first hyperpolarizability, HOMO–LUMO and thermodynamic properties of 5-nitoindan using DFT quantum chemical calculations

Vineet Kumar, R. Sangeetha, D. Barathi, R. Mathammal, N. Jayamani

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 25 citations · 23 references

Concepts

Excited State PropertyMolecular SpectroscopyPhysicsVibrational AssignmentMolecular Dipole MomentNatural SciencesFirst HyperpolarizabilityComputational ChemistryChemistryQuantum ChemistrySpectra-structure Correlation

References

23

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

Axel D. Becke · The Journal of Chemical Physics · 1993 · 101.1K citations

Electron Density, Chemical Thermodynamics, Engineering +13

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 · 98.6K citations

Electron Density, Gradient Expansions, Engineering +14

Spectrometric identification of organic compounds

Robert M. Silverstein, G. Clayton Bassler · Journal of Chemical Education · 1962 · 14.2K citations

Engineering, Altmetric Attention Score, Bibliometrics +17

Spectrometric identification of organic compounds

Jeevitha G.C · Journal of Molecular Structure · 1972 · 2.5K citations

Engineering, Biochemistry, Natural Sciences +6

Nonlinear Dielectric Polarization in Optical Media

D. A. Kleinman · Physical Review · 1962 · 2.4K citations

Photonics, Nonlinear Dielectric Polarization, Optical Materials +13