Spectroscopic investigation, HOMO-LUMO energies, natural bond orbital (NBO) analysis and thermodynamic properties of two-armed macroinitiator containing coumarin with DFT quantum chemical calculations
Abstract
In the present work, two-armed macroinitiator containing coumarin were synthesized, characterized by Fourier transform infrared spectroscopy and H-1 nuclear magnetic resonance techniques and investigated theoretically using density functional theory (DFT)
URI
http://dspace.beu.edu.tr:8080/xmlui/handle/20.500.12643/10470https://doi.org/10.1139/cjp-2016-0041
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