Senthil kumar, J

Spectroscopic (FT-IR and FT-Raman) investigation, first order hyperpolarizability, NBO, HOMO-LUMO and MEP analysis of 6-nitrochromone by ab initio and density functional theory calculations. [electronic resource] - Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Feb 2015 - 771-81 p. digital

Publication Type: Journal Article

1873-3557

10.1016/j.saa.2014.09.094 doi


Chromones--chemistry
Models, Molecular
Molecular Conformation
Nitro Compounds--chemistry
Spectroscopy, Fourier Transform Infrared
Spectrum Analysis, Raman
Static Electricity
Thermodynamics