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31.
Thiazine dye, methylene blue (MB), oxazine dye, nile blue (NB), and phenazine-based dye, neutral red (NR), bear a similar basic dye skeleton with a distinctively different central heteroatom. All of them are extracted into nonpolar organic solvent from alkaline solution. The role of the heteroatom on the respective dye skeletons and redox potentials of the dyes has been examined to signature the stability of the species in organic solvent and the results have been substantiated through geometry optimization and wave function analysis at the density functional theory level. The effect of solvent polarity on the electronic absorption spectra of the three nonionic benzenoid species has been investigated with an intention to investigate the solvatochromic behavior of these compounds.  相似文献   
32.
The structures of Ne, Na, Mg, Al, Si, P and S nuclei near the neutron drip-line region are investigated in the frame-work of relativistic mean field theory and non-relativistic Skyrme Hartree-Fock formalism. The recently discovered nuclei 40Mg and 42Al, which are beyond the drip-line predicted by various mass formulae are located within these models. We find many largely deformed neutron-rich nuclei, whose structures are analyzed. From the structure anatomy, we find that at large deformation low orbits of opposite parities (e.g. $\frac{1} {2}^ +$ and $\frac{1} {2}^ -$ ) occur close to each other in energy.  相似文献   
33.
Coinage metal chalcogenides in their nanoregime have been synthesized in aqueous medium at room temperature by mixing the nanoparticles of silver or copper with selenium nanoparticles which are authenticated by UV-vis, XRD and TEM analyses.  相似文献   
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