Open AccessPrediction of electronic structure, dielectric and thermodynamical properties of flurbiprofen by density functional theory calculation
Author(s) -
Geh Wilson Ejuh,
Martin Thierry Ottou Abe,
F. Tchangwa Nya,
J.M.B. Ndjaka
Publication year - 2018
Publication title -
karbala international journal of modern science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.345
H-Index - 17
eISSN - 2405-6103
pISSN - 2405-609X
DOI - 10.1016/j.kijoms.2017.10.001
Subject(s) - hyperpolarizability , polarizability , density functional theory , chemistry , dielectric , hybrid functional , homo/lumo , raman spectroscopy , dipole , computational chemistry , band gap , molecular physics , molecular orbital , molecule , materials science , physics , optics , organic chemistry , optoelectronics