• Bulletin of the Korean Chemical Society
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• 제21권7호
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• pp.671-672
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• 2000

• Bulletin of the Korean Chemical Society
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• 제12권3호
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• pp.243-244
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• 1991

• Bulletin of the Korean Chemical Society
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• 제10권3호
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• pp.316-317
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• 1989

• Bulletin of the Korean Chemical Society
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• 제12권4호
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• pp.365-367
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• 1991

• Journal of Hydrogen and New Energy
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• 제6권2호
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• pp.91-100
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• 1995

To investigate the surface state of $Mg_2Ni$ which was exposed to the air, a chemical treatment was undertaken with $H_2SO_4$ solution. During chemical treatment, the change of pH was measured continuously and the chemically treated specimen was hydrided to study the effect of chemical treatment on the hydrogenation. The pH changing behavior with the various $H_2SO_4$ concentration appeared very diffemrently. Especially in the solution including 3CC $H_2SO_4$, the behavior of pH change can be divided 3 steps. It is also shown that the $Mg_2Ni$ chemically treated with $H_2SO_4$ can be hydrided even under room temperature. By the SEM observation the was reasion that after chemical treatment the surface of a particle was covered with Ni layer.

• Proceedings of the Polymer Society of Korea Conference
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• 한국고분자학회 2006년도 IUPAC International Symposium on Advanced Polymers for Emerging Technologies
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• pp.213-213
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• 2006

High molecular weight of polycarbonate(PC) and well dispersed PC/MMT nanocomposites were successfully prepared through the novel technology, microwave solid-state polymerization. In our studies, the microwave irradiation is more effective than conventional oil-bath heating on achieving the high molecular weight and uniform nanocomposites. Using the polycarbonate prepolymer made it possible to intercalate the short chains into the galleries of MMT more easily. And it was observed that prepared nanocomposites by microwave solid-state polymerization have more uniform dispersion of silicate of MMT into the polymer matrix than by oil heating.

• Bulletin of the Korean Chemical Society
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• 제32권1호
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• pp.77-82
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• 2011

A new high performance liquid chromatograpgy (HPLC) stationary phase that possesses an internal carbonyl functional group is synthesized by heterogeneous "graft from" method. This new stationary phase, poly (vinyl octadecanoate) grafted silica (Sil-2) is then characterized by different physico-chemical methods such as diffuse reflectance infrared fourier transform, suspension state $^1H$ NMR, solid state $^{13}C$ CP/MAS NMR, $^{29}Si$ CP/MAS NMR, elemental analysis and thermogravimetric analysis. Chromatographic properties of Sil-2 were evaluated under reversed phase condition by separating polycyclic aromatic hydrocarbons (PAHs) and comparing the chromatographic results with those on polymeric as well as monomeric octadecylated silica stationary phases.

• Membrane and Water Treatment
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• 제7권6호
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• pp.539-553
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• 2016

As a novel hydrophobic monomer, polytetrahydrofuran diacrylate (PTMGDA) was synthesized by the esterification reaction between polyethylene tetrahydrofuran (PTMG) and acryloyl chloride (AC). In situ free radical polymerization reaction method was utilized to fabricate poly (vinylidene fluoride) (PVDF)-PTMGDA-poly(ethylene oxide) dimethacrylate (PEGMA) ulrafiltration (UF) membranes. The performances of PVDF-PTMGDA-PEGMA UF membranes in terms of morphologies, mechanical properties, separation properties and hydrophilicities were investigated. The introduction of the PTMGDA-PEGMA dopants not only increased the membranes' pure water flux, but also improved their mechanical properties and the dynamic contact angles. The addition of the PTMGDA/PEGMA dopants led to the formation of the finger-like structure in the membrane bulk. With the increase concentration of PTMGDA/PEGMA dopants, the porosity and the mean effective pore size increased. Those performances were coincide with the physicochemical properties of the casting solutions.

• Bulletin of the Korean Chemical Society
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• 제31권2호
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• pp.365-371
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• 2010

The multiconfiguration molecular mechanics (MCMM) algorithm was used to generate potential and vibrationally adiabatic energy surfaces for excited-state tautomerization in the 1:1 7-azaindole:$H_2O$ complex. Electronic structures and energies for reactant, product, transition state were computed at the CIS/6-31G(d,p) level of theory. The potential and vibrationally adiabatic energies along the reaction coordinate were generated step by step by using 16 high-level Shepard points, which were computed at the CIS/6-31G(d,p) level. This study shows that the MCMM method was applied successfully to make quite reasonable potential and adiabatic energy curves for the excited-state double proton transfer reaction. No stable intermediates are present in the potential energy curve along the reaction coordinate of the excited-state double proton transfer in the 1:1 7-azaindole:$H_2O$ complex, indicating that these two protons are transferred concertedly. The change in the bond distances along the reaction coordinate shows that two protons move very asynchronously to make an $H_3O^+$-like moiety at the transition state.

• Bulletin of the Korean Chemical Society
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• 제28권12호
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• pp.2343-2353
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• 2007

We report the application of time-dependent density functional theory (TDDFT) to the calculation of potential energy profile relevant to the excited state intramolecular proton transfer (ESIPT) processes in title molecules. The TDDFT single point energy calculations along the reaction path have been performed using the CIS optimized structure in the excited state. In addition to the Stokes shifts, the transition energies including absorption, fluorescence, and 0-0 transition are estimated from the TDDFT potential energy profiles along the proton transfer coordinate. The excited state TDDFT potential energy profile of SA and 3ASA resulted in very flat function of the OH distance in the range ROH = 1.0-1.6 A, in contrast to the relatively deep single minimum function in the ground state. Furthermore, we obtained very shallow double minima in the excited state potential energy profile of SA and 3ASA in contrast to the single minimum observed in the previous work. The change of potential energy profile along the reaction path induced by the substitution of electron donating groups (-NH2 and -OCH3) at different sites has been investigated. Substitution at para position with respect to the phenolic OH group showed strong suppression of excited state proton dislocation compared with unsubstitued SA, while substitution at ortho position hardly affected the shape of the ESIPT curve. The TDDFT results are discussed in comparison with those of CASPT2 method.