2014•Spectrochimica Acta Part A Molecular and Biomolecular SpectroscopyRequires access

Conformational stability, spectroscopic (FT-IR, FT-Raman and UV–Vis) analysis, NLO, NBO, FMO and Fukui function analysis of 4-hexylacetophenone by density functional theory

S. Saravanan, Vadivelu Balachandran

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Key concepts: Natural bond orbital, Hyperpolarizability, Fukui function, Chemistry, Polarizability, Basis set, Density functional theory, Computational chemistry

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Conformational stability, spectroscopic (FT-IR, FT-Raman and UV–Vis) analysis, NLO, NBO, FMO and Fukui function analysis of 4-hexylacetophenone by density functional theory — Research Paper | ScholarLens