Concepedia

Structural features of the 2-amino-5-nitrobenzophenone by means of vibrational spectroscopy HF and DFT, first order hyperpolarizability, NBO, HOMO–LUMO and theromodynamic properties

V. Balachandran, G. Santhi, V. Karpagam, V. K. Rastogi

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 13 citations · 38 references

Concepts

Structural FeaturesFirst Order HyperpolarizabilityMolecular SpectroscopyEngineeringNatural SciencesSpectra-structure CorrelationPhysical ChemistryOrganic ChemistryQuantum ChemistryChemistryMolecule-based MaterialBiophysicsVibrational Spectroscopy Hf

References

38

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

The fundamental nature and role of the electrostatic potential in atoms and molecules

Peter Politzer, Jane S. Murray · Theoretical Chemistry Accounts · 2002 · 1.2K citations

Engineering, Fundamental Nature, Physics +11

Vibrational spectra of monothiocarbamates-II. IR and Raman spectra, vibrational assignment, conformational analysis and ab initio calculations of S-methyl-N,N-dimethylthiocarbamate

G. Keresztury, S. Holly, G. Besenyei et al. · Spectrochimica Acta Part A Molecular Spectroscopy · 1993 · 913 citations

Molecular Spectroscopy, Vibrational Spectra, Vibrational Assignment +9

Scaling of ab initio force fields by MOLVIB

Tom Sundius · Vibrational Spectroscopy · 2002 · 835 citations

Natural Sciences, Ab-initio Method, Physics +1