Article ID Journal Published Year Pages File Type
1231754 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2012 12 Pages PDF
Abstract
► Geometrical parameters and vibrational frequencies of 3-ABP were calculated. ► Conformational analysis was carried out using DFT/B3LYP method. ► Molecular electrostatic potential map was drawn and explained. ► Electronic properties were investigated.
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Related Topics
Physical Sciences and Engineering Chemistry Analytical Chemistry
Preview
The spectroscopic (FT-IR, FT-Raman, UV) and first order hyperpolarizability, HOMO and LUMO analysis of 3-aminobenzophenone by density functional method
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