• Journal of the Korean Chemical Society
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• v.57 no.6
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• pp.697-702
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• 2013

The addition reaction of cyclopropane with $MgH_2$ has been investigated using the B3LYP density functional method employing several split-valence basis sets. Both along the and perpendicular to the cyclopropane ring approach has been reported. It is shown that the reaction proceeds via a four-centered transition state. Calculations at higher levels of theory were also performed at the geometries optimized at the B3LYP level, but only slight changes in the barriers were observed. Structural parameters for the transition state are also reported.

• Bulletin of the Korean Chemical Society
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• v.32 no.10
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• pp.3634-3640
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• 2011

We have performed quantum mechanical calculations to study the geometries and binding energies of biologically important, cyclic hydrogen-bonded complexes, such as formic acid + $H_2O$, formamidine + $H_2O$, formamide + $H_2O$, formic acid dimer, formamidine dimer, formamide dimer, formic acid + formamide, formic acid + formamidine, formamide + formamidine, and barrier heights for the double proton transfer in these complexes. Various ab initio, density functional theory, multilevel methods have been used. Geometries and energies depend very much on the level of theory. In particular, the transition state symmetry of the proton transfer in formamidine dimer varies greatly depending on the level of theory, so very high level of theory must be used to get any reasonable results.

• School Mathematics
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• v.11 no.4
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• pp.707-722
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• 2009

Various theories of mathematics education which have been considered by many European researchers particularly, in France, recently are introduced. The Anthropological Theory of the didactic discussed by Chevallard will be briefly introduced. Then the praxeology as Anthropological model according to Chevallard's theory will be discussed. The necessity of Anthropological Theory, its background of development through transition process of didactic, and its basic elements will be discussed further. Additionally, teaching limit of sequences in high school mathematics will be suggested according to the theory.

• Journal of Korean Society for Atmospheric Environment
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• v.21 no.5
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• pp.525-535
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• 2005

Using a three-dimensional computational fluid dynamics (CFD) model with the $k-{\varepsilon}$ turbulence closure scheme based on the renormalization group theory, flow regimes in urban street canyons are classified according to the building and street aspect ratios. The transition between skimming flow (SF) and wake interference flow (WIF) is determined with the size of double-eddy circulation generated behind the upwind building. The transition between WIF and isolated roughness flow (IRF) is determined with the flow reattachment distance from the upwind building. The critical aspect ratios at which the flow transition occurs are found and compared with those in previous studies. The results show that the flow-regime classification method used in this study is quite reasonable and that the values of the critical aspect ratios are generally consistent with those in fluid experiments or large-eddy simulation. The regression equation describing a relation between the building and street aspect ratios at the flow-regime transition is presented.

• Journal of the Korean Ceramic Society
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• v.31 no.8
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• pp.861-868
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• 1994

CaO-Al2O3 glass is a good candidate as optical fiber amplifier and laser. In this study, optical properties for 4I13/2longrightarrow4I15/2 transition of Er3+ ions doped in CaO-Al2O3 glasses were investigated. Optical absorptions, radiative transition probabilities and lifetimes for 4I13/2 level were evaluated by using Judd-Ofelt theory. Also, induced- emmision cross-sections of 4I13/2longrightarrow4I15/2 transition were calculated. Radiative transition probability and lifetime of 4I13/2 level were 144.6s-1, 690$mutextrm{s}$ respectively for 60CaO.40Al2O3 glass(FS0) and 152.6s-1, 660 $mutextrm{s}$ for 54 CaO.36Al2O3.10SiO2 glass (FS10). Each induced-emission cross sections for FS0 and FS10 was 0.749$\times$10-20 $\textrm{cm}^2$, 0.892$\times$10-20 $\textrm{cm}^2$. Obtained values were comparable with those of ZBLA glass studied as optical fiber amplifier and laser material.

• Bulletin of the Korean Chemical Society
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• v.35 no.12
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• pp.3595-3600
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• 2014

Monitoring of pH, especially under highly alkaline conditions, is necessary in various processes in the industrial, biotechnological, agricultural, and environmental fields. However, few pH indicators that can function at highly alkaline levels are available, and most of which are organic-based pH indicators. Several years ago, it was reported that gold nanoparticles prepared using trisodium citrate dihydrate were rapidly aggregated at pH values higher than ~12.7. A shift of surface plasmon resonance for such aggregated gold nanoparticles can be applied to pH indicators, allowing for the substitution of traditional organic-based pH indicators. The most important characteristic of pH indicators is the transition pH range. Herein, gold and silver nanoparticles are prepared using different reducing agents, and their transition pH ranges are examined. The results showed that all nanoparticles prepared in this study exhibit similar transition pH ranges spanning 11.9-13.0, regardless of the nanoparticle material, reducing agents, and concentration.

• Journal of Magnetics
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• v.16 no.2
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• pp.192-195
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• 2011

The phase transition of vortex matter from solid to liquid was studied in iron-based superconductors. Based on the traditional vortex glass theory, we have examined the magnetoresistivity data of iron-based superconductors using our extended thermal activation model: $\rho(B,T)=\rho((T-T_g(B))/(T_c(0)-T_g(B)))^{v(z-1)}$. We predict that the magnetic field-dependent area S + $S_0$ which integrates $\rho$ with T is proportional to $B^{\beta}$, where ${\beta}$ is the vortex glass transition exponent. From our calculation, the vortex glass transition exponent is 0.33, close to the exponent of area $S_0$ + S is 0.31 in $SmO_{0.9}F_{0.1}FeAs$; the exponent of area S is 0.63, which is close to the irreversibility line exponent 2/3. Both of the results show the validity of our model. In addition, our model is shown to be effective in describing irreversibility behavior in layered superconductors.

• Journal of the Korean Chemical Society
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• v.34 no.6
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• pp.593-599
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• 1990

A series of new, square planar, and mixed-ligand complexes of Ni(Ⅱ), Pd(Ⅱ), and Pt(Ⅱ) have been prepared. From the observation of electronic spectrum for the variation of the ligand substituents, the very intense absorption band in the visible range is by the electronic transition of dithiolene to diimine ligand, HOMO to LUMO. In the various solvent systems the IT band shows the similar behavior to IT transition of mixed-valence dinuclear complexes followed with Hush theory, happens rto dominently by the inner sphere charge transfer transition. The negative solvatochromism represents that the excited-state electric dipole is reduced or reversed by the electronic transition.

• The Journal of Natural Sciences
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• v.10 no.1
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• pp.1-7
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• 1998

A Lennard-Jones fluid layer adsorbed on a smooth solid surface was studied at coverages $\theta$ ~ 0.8 to 1.8 on an isotherm by performing intensive grand canonical Monte Carlo simulations. The results clearly show a picture of two-step melting process which used to be observed in recent thermodynamic measurements of argon monolayer melting on graphite. The observed melting process consist of an abrupt density change followed by a gradual transition. Snapshots of monolayer configurations indicate that the creation and dissociation of a dislocation pair are involved in the melting mechanism. Taking the effect of system size into account, it is suggested that, while the abrupt density change may be not related to the theory of Kosterlitz, Thouless, Halperin, Nelson, and Young (KTHNY), the second gradual transition is probably a KTHNY-type melting transition.

• Journal of the Korean Institute of Educational Facilities
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• v.27 no.2
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• pp.79-86
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• 2020

Since the introduction of the new Variation Type school, few studies have focused on students' adaptation to the changes in their learning environments at school. This paper is based on the Stage-Environment Fit theory, which asserts that a successful school life(in terms of motivation to learn) is ensured only when the school environment meets the social and emotional needs of students. Focusing on the third-grade student's adaptation to a new Variation Type school during their middle school period, the following conclusions were drawn. First, the transition to a new Variation Type school during middle school is much more difficult than adjusting to a new Variatio Type school upon admission to middle school. Second, this difficulty in adaptation is caused by socio-emotional dissatisfaction in adolescent students, for whom deconstruction of previous friendships can hinder motivation to learn. Third, third-grade students who experienced stress due to spatial changes tended to have a negative attitude towards the new Variation Type itself as they feel more tired from failing to use the space properly. Fourth, to transition successfully to a new Variation Type school, socio-emotional problems must be solved through the reduction of scale of the homebase, and the provision of various choices increasing the number of homebase.