Vibrational (FT-IR, FT Raman), electronic and docking studies and wave function analysis with quantum chemical computation on 3-Bromophenyl acetic acid: A potential amidase inhibitor
AbstractWe present a complete energy and wavefunction analysis of a Harmonic oscillator with simultaneous non-hermitian transformations of co-ordinate $(x \rightarrow \frac{(x + i\lambda p)}{\sqrt{(1+\beta \lambda)}})$ and momentum $(p \rightarrow \frac {(p+i\beta x)}{\sqrt{(1+\beta \lambda)}})$ using perturbation theory under iso-spectral conditions. We observe that two different frequencies of oscillation (w1, w2)correspond to the same energy eigenvalue, - which can also be verified using a Lie algebraic approach.
Investigations on 2-(4-Cyanophenylamino) acetic acid by FT-IR,FT-Raman, NMR and UV-Vis spectroscopy, DFT (NBO, HOMO-LUMO, MEP and Fukui function) and molecular docking studies