• Bulletin of the Korean Chemical Society
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• v.31 no.4
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• pp.895-900
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• 2010

In order to find a relationship between firefly luciferases structure and bioluminescence spectra, we focus on excited substrate geometries which may be affected by rigid luciferases. Density functional theory (DFT) and time dependent DFT (TDDFT) were employed. Changes in only six bond lengths of the excited substrate are important in determining the emission spectra. Analysis of these bonds suggests the mechanism whereby luciferases restrict more or less the excited substrate geometries and to produce multicolor bioluminescence.

• Bulletin of the Korean Chemical Society
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• v.32 no.4
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• pp.1187-1194
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• 2011

The hydrogen abstraction reaction of $CF_3CH_2CHO$ + OH has been studied theoretically by dual-level direct dynamics method. Two stable conformers, trans- and cis-$CF_3CH_2CHO$, have been located, and there are four distinct OH hydrogen-abstraction channels from t-$CF_3CH_2CHO$ and two channels from c-$CF_3CH_2CHO$. The required potential energy surface information for the kinetic calculation was obtained at the MCG3-MPWB//M06-2X/aug-cc-pVDZ level. The rate constants, which were calculated using improved canonical transitionstate theory with small-curvature tunneling correction (ICVT/SCT) were fitted by a four-parameter Arrhenius equation. It is shown that the reaction proceeds predominantly via the H-abstraction from the -CHO group over the temperature range 200-2000 K. The calculated rate constants were in good agreement with the experimental data between 263 and 358 K.

• Korean Journal of Materials Research
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• v.18 no.11
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• pp.592-596
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• 2008

Spring constants (displacement per unit applied load) of MEMS socket pins of given structures were computed by theoretical analysis and confirmed by the finite element method (FEM). In the theoretical analysis, the displacement of pins was calculated based on the 2-dimensional bending theory of the curved beam. For the 3-dimensional modeling, CATIA was used. After modeling, the raw data were transferred to ANSYS, which was employed in the 3-dimensional analysis for the calculation of the stress and strain and loaddisplacement The theoretical analysis and the FEM results were found to agree, with each showing the spring constants as 63.4 N/m within a reasonable load range. These results show that spring constants can be easily obtained through theoretical calculation without resorting to experiments and FEM analysis for simple and symmetric structures. For the some change of shape and structural stiffness, this theoretical analysis can be applied to MEMS socket pins.

• Journal of the Korean Institute of Telematics and Electronics A
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• v.29A no.7
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• pp.39-47
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• 1992

This paper showed that theoretical site attenuation curves were obtained simply by the method of moments analysis for current integral equations on antennas. Since the expansion coefficients of driving and receiving points were calculated from the method of moments procedure, site attenuations were evaluated simply using these basic antenna parameters. Theoretical site attenuations were calculated with half-wave resonant dipoles connected directly to a 50 ohm receiving system and connected to a 72/50 ohm matching network, respectively. Results were compared with other theoretical studies reported so far. Also included were experimental results for site attenuations to prove the validity of theoretical analysis.

• 한국전산유체공학회:학술대회논문집
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• 2008.08a
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• pp.67.1-67.1
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• 2008

• Water Engineering Research
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• v.2 no.2
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• pp.89-101
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• 2001

The theoretical treatments on jets, in which the flow is issuing into a stagnant medium, have been based on Prandtl's mixing theory. In this study, using Prandtl's mixing length hypothesis, a theoretical relationship for the velocity profile of a single round jet is derived. Furthermore, Gaussian expression is used to approximate the theoretical relationship, in which the Gaussian coefficient is assumed to be decreasing exponentially as the flow goes far from the orifice. Two data sets for a single round jet performed by tow different techniques of measurement are used to verify the suggested relationships. The theoretical and Gaussian distribution give close results in spite of the difference in approach. The observed mean velocity distributions are in good agreements with the suggested theoretical and Gaussian distributions.

• Proceedings of the Korean Operations and Management Science Society Conference
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• 1995.04a
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• pp.387-394
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• 1995

With respect to the effectiveness of types of knowledge on human diagnostic performance, the results of several experiments claimed that training with diagnostic rules (procedural knowledge) is more effective than training that provides theoretical knowledge (principle knowledge). However, we usually have the idea that understanding the principles of system dynamics is necessary for diagnosis in some situations. In this study, we pointed out some problems in the previous experiments that force to reinterpret their experimental conclusions. Accordingly, we conducted an experiment to reinvestigate the value of theoretical knowledge in two problem situations. A simulator system, which is named DLD, that is to diagnose an electronic device was created for this purpose. It is a context-free digital logic circuit which includes forty-one gates of three basic types. Our experiment investigated the marginal effects of theoretical knowledge over common diagnostic rules. The experimental results showed that the effectiveness of the instruction in theoretical knowledge is dependent on the complexity of diagnostic situations. This adds up an experimental evidence against the presumed ineffectiveness of theoretical knowledge and forward reasoning in fault diagnosis. Furthermore, the result suggests the source of the use of theoretical knowledge.

• Journal of Family Resource Management and Policy Review
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• v.10 no.1
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• pp.1-16
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• 2006

This essay was written with the purpose of finding an effective outline of reorganizing the theoretical establishments of institutional household management. We have proposed a few alternative models for the reorganization of the theoretical system of institutional household management after analyzing the theoretical systems of Management and Administration: First, institutional household management should embrace the concepts of positive management. Second, we should organize a plan where such factors as organization system, human resource development, advertisement and consumer satisfaction surveys could be introduced and strengthened within the theoretical system of institutional household management.

• Proceedings of the Korea Concrete Institute Conference
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• 2006.11a
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• pp.301-304
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• 2006

This study was performed to suggest a theoretical method of flexural capacity of 'Hybrid Beam'. Since the center of 'Hybrid Beam' is composed of embedded composite beam section, a theoretical method of embedded composite beam could be applied to estimation of flexural capacity of 'Hybrid Beam'. In this study, a theoretical evaluation method for flexural capacity of embedded composite beam, which is suggested by KBC 2005, is chosen and its applicability is evaluates as comparing theoretical results with experimental results. In results, for estimation of theoretical ultimate strength, it is proper method that both effects due to concrete and rebar are considered and whole section is assumed to be plastic. and for estimation of theoretical strength at yielding stste, it is proper to apply allowable stress design.

• Proceedings of the KIEE Conference
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• 2001.10a
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• pp.215-218
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• 2001

In conventional three-phase rectifiers, it was necessary to use a transformer to obtain low output voltage. In this paper, we propose a new three-phase rectifiers circuit that achieves low voltage by using a very simple circuit configuration that does not have a transformer and does not need any complex control. We also describe the operation principle of the proposed circuit, and derive a theoretical formula for its current waveform. On the basis of this formula it also explores the theoretical input/output current characteristics, theoretical current amplification factor, and theoretical output voltage characteristics of these theoretical values with experimentally obtained input/output current characteristics, current amplification factor, and output voltage characteristics, allowed us to confirm the soundness of our theoretical analyses.