• Bulletin of the Korean Chemical Society
• /
• v.28 no.11
• /
• pp.1993-1995
• /
• 2007

A substitution effect on the electronic transition of bi-substituted benzyl-type radicals was discovered. The origin of the electronic D1 → D0 transition of benzyl-type radicals was red-shifted upon substitution to the benzene ring. For symmetric bi-substituted benzyl-type radicals, it was found that the predicted shift obtained from mono-substituted benzyl-type radicals agreed well with the observation. The reason for this agreement is believed that the substituent contributes independently to the electronic energy. The substitution effect was applied to the symmetric bi-substituted difluoro-, dichloro- and dimethylbenzyl radicals.

• Korean Management Science Review
• /
• v.22 no.2
• /
• pp.35-49
• /
• 2005

When new services are introduced, interaction among existing and new services has to be considered. The interaction can be characterized by the substitution or complementary effect among services. This paper analyzes how the interaction among services affects the customers' subscription decision in telecommunication services industry. Based on a face-to-face in-depth survey from a sample of 1,200 respondents, a new wireless internet access service or WiBro is analyzed to identify the substitution/complementary effect in relation to the existing other telecommunication services. Additionally, the important factors explaining both customers' subscription and substitution decisions are identified. The analysis results indicate that males and students are more likely to subscribe WIBro service. Interestingly, family size positively affects the subscription decision. However, heavy users of on-line game are reluctant to subscribe WiBro service. Among the potential WiBro subscribers, the customers who are less satisfied with the existing fixed line broadband internet access service are more likely to stop subscribing the fixed line service, which implies substitution by a new service. We believe that the consideration of the interactions among services is essential to devise a winning strategy for the new services in the highly uncertain telecommunications business environment.

• Bulletin of the Korean Chemical Society
• /
• v.12 no.3
• /
• pp.295-301
• /
• 1991

The nucleophilic substitution reactions of p-substituted benzenesulfonyl chlorides wiht p-substituted anilines were carried out in 1,1,1,3,3,3-hexafluoro-2-propanol and 2-propanol mixtures. The salt effect was observed to be inhibited by the reaction of 1,1,1,3,3,3-hexafluoro-2-propanol with nucleophiles. To investigate the effectiveness of the salt for the nucleophilic substitution reaction the relative salt effect was determined. According to the comparison with the inhibitive salt effect and the substituent effects for the substrates and nucleophiles, the reactions were predicted to be controlled by the salt effect more than substituent effect in HFP-PrOH mixtures.

• Journal of the Korean Ceramic Society
• /
• v.32 no.5
• /
• pp.635-641
• /
• 1995

The effects of A-site substitution with alkaline-earth ions (Ca, Sr and Ba) on the perovskite-phase formation and dielectric properties for Pb1-xMx(Zn1/3Nb2/3)O3 (0.0 x 0.5)-based relaxors were studied. Considerable improvements in the sinterability and the extent fo perovskite formation were observed with increasing the A-site substitution (x) and sintering temperature. The maximum dielectric permittivity appeared at x=0.1 for Sr and Ba substitutiion, while the relative dielectric permittivity was almost invariant in the case of Ca ion substitution. Curie temperature decreased with increasing relative amount of Sr and Ba ions but was almost invariant in case of Ca ion substitution. With increasing the amount of x, the diffuseness parameter ($\delta$) increased but the maximum dielectric constant decreased, demonstrating an enhanced diffuse phase transition (DPT) in the presence of alkaline-earth cations.

• Journal of Korea Technical Association of The Pulp and Paper Industry
• /
• v.30 no.2
• /
• pp.30-39
• /
• 1998

Effect of cationic starches and anionic colloidal silica on retention and drainage characteristics of Compozil system was investigated. Depending upon the degree of substitution and molecular weight of cationic starches and morphological characteristics of anionic colloidal silica, retention and drainage properties of Compozil system were significantly influenced. When cationic starch addition level increased above a certain limit retention and stock freeness were decreased. To elucidate this an electrostatic coagulation mechanism occurring between unadsorbed starch molecules and anionic colloidal silica was proposed. Unstructured colloidal silica showed greater improvement in retention than structured colloidal silica. Cationic corn starches with different degree of substitution and molecular weights were prepared and their effect as a constituent of Compozil system was also evaluated. By controlling the molecular weight and degree of substitution of cationic corn starch it was possible to achieve significant improvement in fines retention. Cationic corn starch with higher degree of substitution maintained its retention efficiency even when the stock conductivity was increased. Turbidity measurement technique was found to be a simple and useful method to measure the retention characteristics.

• Bulletin of the Korean Chemical Society
• /
• v.30 no.7
• /
• pp.1481-1484
• /
• 2009

When isolated phenol or a small phenol-solvent cluster is excited to the $S_1\;state\;of\;{\pi}{\pi}^*$ character, the hydrogen atom of the hydroxyl group dissociates via a ${\pi}{\sigma}^*$ state that is repulsive along the O-H bond. We computationally investigated the substitution effects of an amino group on the excited state hydrogen transfer reaction of phenol. The time-dependent density functional theory (TDDFT) with B3LYP functional was employed to calculate the potential energy profiles of the ${\pi}{\pi}^*$ and the ${\pi}{\sigma}^*$ excited states along the O-H coordinate, together with the orbital shape at each point, as the position of the substituent was varied. It was found that the amino substitution has an effect of lowering the ${\pi}{\sigma}^*$ state and enhancing the excited state hydrogen transfer reaction.

• Bulletin of the Korean Chemical Society
• /
• v.34 no.2
• /
• pp.415-420
• /
• 2013

Effect of chemical substitution at the para-position of the thiophenoxyl radical has been theoretically investigated in terms of energetics, structures, charge densities and orbital shapes for the ground and first electronically excited states. It is found that the adiabatic energy gap increases when $CH_3$ or F is substituted at the para-position. This change is attributed to the stabilization of the ground state of thiophenoxyl radical through the electron-donating effect of F or $CH_3$ group as the charge or spin of the singly-occupied molecular orbital is delocalized over the entire molecule especially in the ground state whereas in the excited state it is rather localized on sulfur and little affected by chemical substitutions. Quantitative comparison of predictions based on four different quantum-mechanical calculation methods is presented.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
• /
• v.21 no.3
• /
• pp.232-235
• /
• 2008

In this study, in order to develop the composition ceramics for multilayer piezoelectric actuator, PMN-PNN-PZT ceramics were fabricated using $Li_2CO_3$, $Na_2CO_3$, ZnO as sintering aids and their piezoelectric and dielectric properties were investigated according to the Bi substitution, Bi substitution induced grain growth and increase of sinterablity, And also, Bi substitution suppress secondary phase due to the liquid phase sintering effect. Bi substitution enhanced electromechanical coupling factor ($k_p$) and dielectric constant ($\varepsilon_r$), However, mechanical quality factor($Q_m$) was deteriorated, At the sintering temperature of 870 $^{\circ}C$ and Bi substitution of 1 mol%, density, electromechanical coupling factor ($k_p$), mechanical quality factor ($Q_m$), Dielectric constant ($\varepsilon_r$) and piezoelectric constant ($d_{33}$) of specimen showed the optimum values of 7,878 $g/cm^3$, 0,608, 835, 1603 and 397 pC/N, respectively for multilayer piezoelectric actuator application.

• Journal of the Semiconductor & Display Technology
• /
• v.6 no.3
• /
• pp.13-17
• /
• 2007

Effect of Co substitution on crystal structures of two nickel silicides, NiSi and $NiSi_2$, is investigated by using an ab initio calculation. Relaxed NiSi and $NiSi_2$ structures are calculated and the calculated lattice parameters are in good agreement with experimentally determined lattice parameters within about 2%. A Co atom substitutes a Ni and Si site, respectively, to evaluate the preferable site between them. Co prefers Ni site to Si site in both NiSi and $NiSi_2$. The calculated total energy also indicates that the Co substitution to Ni site stabilizes both the NiSi and $NiSi_2$ structures. Co also prefers Ni site in $NiSi_2$ to that in NiSi, indicating that $NiSi_2$ becomes more stable than NiSi with Co substitution. As Co addition to NiSi improves its thermal stability experimentally, this indicates that the energy barrier between the two phases is high enough to prevent the phase transformation from NiSi to $NiSi_2$ up to high temperature.

• Journal of Magnetics
• /
• v.7 no.4
• /
• pp.143-146
• /
• 2002

Mechanical milling technique is considered to be a useful way of processing the fine Nd-Fe-B-type powder with high coercivity. In the present study, phase evolution of the $Nd_{15}(Fe_{1-x}Co_{x})_{77}B_{8}$ (x=0-0.6) alloys during the high energy mechanical milling and annealing was investigated. The effect of Co-substitution on the crystallization of the mechanically milled $Nd_{15}(Fe_{1-x}Co_{x})_{77}B_{8}$ amorphous material was examined. The Nd-Fe-B-type alloys can be amorphized completely by a high-energy mechanical milling. On annealing of the amorphous material, fine $\alpha$-Fe crystallites form first from the amorphous. These fine $\alpha$-Fe crystallites reacts with the remaining amorphous afterwards, leading to crystallization to $Nd_2Fe_{14}$B phase. The Co-substitution for Fe in $Nd_{15}(Fe_{1-x}Co_{x})_{77}B_{8}$ ($\mu$x=0∼0.6) alloys lower significantly the crystallization temperature of the amorphous phase to the $Nd_2Fe_{14}$B phase. The mechanically milled and annealed $Nd_{15}Fe_{77}B_8$ alloy without Co-substitution exhibits consistently better magnetic properties with respect to the alloys with Co-substitution.