Fig 13 - uploaded by Avni Berisha
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NBO visualization and some of the highest corresponding stabilization energies form oxygen (O) lone pairs to anti-bonding orbitals
Source publication
A monocarbonyl analog of curcumin, (2E,5E)-2,5-bis(2-methoxybenzylidene)-cyclopentanone (B2MBCP), was prepared and characterized via spectroscopic methods (NMR, UV-Vis, FT-IR, and MS). Furthermore, density functional calculations were implemented to study the molecular structure and spectroscopic features, as well as adsorption properties. In addit...
