• Bulletin of the Korean Chemical Society
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• 제15권8호
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• pp.658-662
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• 1994

Ab initio and extended Huckel calculations have been applied to discuss the electronic structure, ring inversion barrier, and geometry of the $Cp_2TiS_3$ compound. The deformation of four membered ring in the planar geometry is originated from a second-order Jahn-Teller distortion due to the small energy gap between HOMO and LUMO on the basis of extended Huckel calculations. The puckered $C_s$ geometry is stabilized by the interaction of the $x^2-y^2$ metal orbital with the hybrid orbital in sulfur. Ab initio calculations have been carried out to explore the ring inversion process for the model $Cl_2TiS_3$ compound. We have optimized $C_s$ and $C_{2v}$ structures of the model compound at the RHF level. The energy barriers for the ring inversion are sensitive to the used basis set. With 4-31$G^*$ for the Cl and S ligands, the barriers are computed to be 8.41 kcal/mol at MP2 and 8.02 kcal/mol at MP4 level.

• Bulletin of the Korean Chemical Society
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• 제33권3호
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• pp.901-905
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• 2012

In this study, we investigated the pure geometrical effect of porous materials in gas adsorption using the grand canonical Monte Carlo simulations of primitive gas-pore models with various pore geometries such as planar, cylindrical, and random pore geometries. Although the model does not possess atomistic level details of porous materials, our simulation results provided many insightful information in the effect of pore geometry on the adsorption behavior of gas molecules. First, the surface curvature of porous materials plays a significant role in the amount of adsorbed gas molecules: the concave surface such as in cylindrical pores induces more attraction between gas molecules and pore, which results in the enhanced gas adsorption. On the contrary, the convex surface of random pores gives the opposite effect. Second, this geometrical effect shows a nonmonotonic dependence on the gas-pore interaction strength and length. Third, as the external gas pressure is increased, the change in the gas adsorption due to pore geometry is reduced. Finally, the pore geometry also affects the collision dynamics of gas molecules. Since our model is based on primitive description of fluid molecules, our conclusion can be applied to any fluidic systems including reactant-electrode systems.

• 한국지반공학회:학술대회논문집
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• 한국지반공학회 2002년도 암반역학위원회 학술세미나 논문집
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• pp.103-114
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• 2002

Stability of cut-slope is considered to have a deep relationship with rock types since rock has its own engineering and geological characteristic such as shear strength, durability, weathering profile, geological structures. Therefore, analysis of geological and engineering characterisics of rock mass is essential for the evaluation of rock slope stability This paper introduces the statistical data of slope failure cases which was collected from highway slopes constructed in sedimentary rock mainly of shale in Ky ng-sang Basin. Primary failure feature in this area is planar failure along the bedding regardless of slope geometry. Even a disasterous slope failure case due to the thick clay layer between the beddings was reported. Failures and rock fall were reported to ocurred frequently after the completion of cutting due to the weathering, so long-term slope stability should be considered as a important factors in design.

• 대한기계학회:학술대회논문집
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• 대한기계학회 2004년도 추계학술대회
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• pp.1740-1745
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• 2004

A simplified resistor network model for electrical and mass transport in anode-supported planar solid oxide fuel cell (SOFC) was constructed in order to investigate the effect of interconnect rib geometry on the cell performance. For accurate potential calculation, activation and concentration over-potentials at the electrode/electrolyte interfaces were fully considered in this calculation. When contact resistance was not considered, the optimum interconnect rib length were calculated to be $0.1{\sim}0.2$ mm for 2 mm half unit cell for given operation conditions and properties. However, with realistic contact resistance, the interconnect rib length should be increased to provide larger contact area and thus to obtain better performance.

• 자연과학논문집
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• 제16권1호
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• pp.129-141
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• 2005

The equilibrium geometry, adiabatic electron affinity, harmonic vibrational frequencies, and infrared intensities of 1,4,6,9-Tetra chlorinated dibenzo-$\rho$-dioxin anion have been studied using B3LYP method. The local minimum conformation is found to be twisted form with $D_2$ symmetry. The predicted adiabatic electron affinity is 0.54 eV. The predicted inversion barrier between twisted and planar conformers was 0.9 kcal/mol, thus we expect that experimentally observed structure seems to be planar. the characteristic IR band of 1,4,6,9-TCDD anion appears at 1510 $cm^4$, which is a benzene ring skeleton vibration mode related with CaCb and C2C3 bond. this characteristic band could be sued for identication of 1,4,6,9-TCDD anion.

• Journal of applied mathematics & informatics
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• 제6권1호
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• pp.279-289
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• 1999

Given n points in the plane the planar convex hull prob-lem in that of finding which of these points belong to the perimeter of the smallest convex region (a polygon) containing all n points. Here we suggest two kinds of methods. First we present a new sequential method for constructing the pla-nar convex hull O(1.5n) time in the quadratic decision tree model. Second using the sequential method we suggest a new parallel algo-rithm which solve the planar convex hull O(1.5n/p) time on a maspar Machine (CREW-PRAM) with O(n) processors. Also when we run on a maspar Machine we achieved a 37. 156-fold speedup with 64 pro-cessor.

• Journal of Information Display
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• 제10권2호
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• pp.72-75
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• 2009

The Brillouin spectrum of 4'-n-pentyl-4-cyano-biphenyl (5CB) liquid crystals homogeneously confined in a planar liquid crystal (LC) cell was measured using a 6-pass tandem Fabry-Perot interferometer. By adopting a special right-angle scattering geometry, the sound velocity of 5CB was estimated from the Brillouin shift without knowing the refractive index. The sound velocity of the longitudinal wave propagating along the direction of the directors aligned parallel to the glass plates of the LC cell was 1784${\pm}$7 m/s at 300 K. The attenuation coefficient $\alpha$ was estimated to be approximately $1.9{\times}10^6m^{-1}$, which is about twice as large as that of the longitudinal sound wave propagating along the direction perpendicular to the directors. The present method may be very useful in the evaluation of the elastic properties of the materials used in display devices, whose refractive indices are not known.

• Mycobiology
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• 제34권4호
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• pp.214-218
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• 2006

Four copper(II) complexes have been prepared using macrocyclic ligands. The macrocyclic ligands have been synthesized by the condensation reaction of diethyl phthalate with Schiff bases derived from o-phenylene diamine and Knoevenagel condensed ${\beta}-ketoanilides$ (obtained by the condensation of acetoacetanilide and substituted benzaldehydes). The ligands and copper complexes have been characterized on the basis of Microanalytical, Mass, UV-Vis., IR and CV spectral studies, as well as conductivity data. On the basis of spectral studies, a square-planar geometry for the copper complexes has been proposed. The in vitro antifungal activities of the compounds were tested against fungi such as Aspergillus niger, Rhizopus stolonifer, Aspergillus flavus, Rhizoctonia bataicola and Candida albicans. All the synthesized copper complexes showed stronger antifungal activities than free ligands. The minimum inhibitory concentrations (MIC) of the copper complexes were found in the range of $8{\sim}28\;{\mu}g/ml$. These compounds represent a novel class of metal-based antifungal agents which provide opportunities for a large number of synthetic variations for modulation of the activities.

• Korean Journal of Geomatics
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• 제5권1호
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• pp.35-42
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• 2005

Precise geometric registration is required in multi-source data fusion process to obtain synergistic results successfully. However, most of the previous studies focus on the assumption of perfect registration or registration in a limited local area with intuitively derived simple geometric model. In this study, therefore, we developed a robust method for geometric registration based on a systematic model that is derived from the geometry associated with the data acquisition processes. The key concept of the proposed approach is to utilize smooth planar patches extracted from LIDAR data as control surfaces to adjust exterior orientation parameters of the aerial images. Registration of the simulated LIDAR data and aerial images was performed. The experimental results show that the RMS value of the geometric discrepancies between two data sets is decreased to less than ${\pm}0.30\;m$ after applying suggested registration method.

• Mycobiology
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• 제35권2호
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• pp.65-68
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• 2007

Three novel complexes of Cu(II), Co(II) and Zn(II) using a macrocyclic ligand derived by the condensation of diethylphthalate and benzidine have been designed, synthesized and characterized by UV-Vis., IR, Mass and Elemental analyses data in order to find out their antifungal activities. The stoichiometry of the complexes has been found to be 1:1 (Metal: Ligand). The analytical data indicate that the complexes exhibit square-planar geometry. The antifungal activity of the macrocyclic ligand and its metal complexes has been screened in vitro against fungi such as Aspergillus niger, A. flavus, Trichoderma harizanum, T. viridae and Rhizoctonia solani.