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Experimental and theoretical investigation of molecular structure, vibrational analysis, chemical reactivity, electrostatic potential of benzyl methacrylate monomer and homopolymer
(Canadıan Scıence Publıshıng, 2016)
Until now, a number of new polymers have been discovered with the aid of experimental and computational molecular approaches and indicated to have potential applications. All the computational molecular approaches provide ...
Spectroscopic investigation, HOMO-LUMO energies, natural bond orbital (NBO) analysis and thermodynamic properties of two-armed macroinitiator containing coumarin with DFT quantum chemical calculations
(Canadıan Scıence Publıshıng, 2016)
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) and Hartree-Fock (HF) calculations of potential p-vinylbenzyl chloride-based macroinitiator for atom transfer radical polymerization
(Canadıan Scıence Publıshıng, 2016)
The spectroscopic properties of poly (styrene-co-p-vinylbenzyl chloride) (poly (St-co-VBC)) were investigated by Fourier transform infrared spectroscopy and H-1 nuclear magnetic resonance spectroscopic techniques. The ...
Dielectric and spectroscopic properties of copolymers based on methacrylate carrying coumarin side group
(Taylor & Francıs Ltd, 2016)
A methacrylic monomer 7-methacryloyloxy-4-methylcoumarin (MAOMC) was synthesized by reacting 7-hydroxy-4-methyl coumarin with methacryloyl chloride. Copolymerization of MAOMC with styrene (St), ethyl methacrylate (EMA), ...
A study of experimental and theoretical analysis of N-cyclohexylmethacrylamide monomer based on DFT and HF computations
(Emerald Group Publıshıng Ltd, 2016)
Purpose - This paper aims to synthesise and characterise N-cyclohexylmethacrylamide (NCMA) monomer which contains thermosensitive group. The characterisation of monomer was performed both theoretically and experimentally. ...