• Bulletin of the Korean Chemical Society
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• v.28 no.12
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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.

• Bulletin of the Korean Chemical Society
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• v.18 no.12
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• pp.1281-1285
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• 1997

The time-dependent tracking inversion method is developed to extract the potential of the excited state from frequency-domain measurements, such as the absorption profile. Based on the relay of the regularized inversion procedure and time-dependent wave-packet propagation, the algorithm extract the underlying potential piece by piece by tracking the time-dependent data which can be synthesized from frequency-domain measurements. We have demonstrated the algorithm to extract the potential of excited state for a model diatomic molecule. Finally, we describe the merits of the time-dependent tracking inversion method compared to the time-dependent inversion and discuss several extensions of the algorithm.

• 한국연소학회:학술대회논문집
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• 2006.10a
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• pp.145-150
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• 2006

At the furnace top, the distribution of charging coke and ore is adjusted to control the reducing gas flow distribution in the furnace. It is necessary to predict operation condition of blast furnace according to the burden profile to judge whether charging is properly conducted In this study, We propose the model for predicting while layer structures whithin furnace when top burden profile was given. Layer structure of coke and ore could be predicted by top burden profile and solid velocity. Solid velocity is assumed as potential flow. Potential function distribution and timeline are also calculated using solid velocity field. The Calculation is conducted for different burden profile cases. As the result burden distribution and grid structure, which is deformed to match the layer structure in shaft and deadman profile. Gas flow was calculated using this grid, and calculated results are compared with each other.

• Wind and Structures
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• v.4 no.6
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• pp.469-480
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• 2001

The Leipzig Wind Profile is generally known as a typical neutral planetary boundary layer flow. But it became clear from the present research that it was not completely neutral but weakly stable. We examined whether we could simulate the Leipzig Wind Profile by using a ($k-{\varepsilon}$) turbulence model including the equation of potential temperature. By solving analytically the Second Moment Closure Model under the assumption of local equilibrium and under the condition of a stratified flow, we expressed the turbulent diffusion coefficients (both momentum and thermal) as functions of flux Richardson number. Our ($k-{\varepsilon}$) turbulence model which included the equation of potential temperature and the turbulent diffusion coefficients varying with flux Richardson number reproduced the Leipzig Wind Profile.

• Bulletin of the Korean Chemical Society
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• v.10 no.6
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• pp.585-591
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• 1989

The effects of the charged metal on the overall electrostatic potential profiles and the capacitances of the electrical double layer are brought out. A model with a simplified jellium and a point-charged electrolyte is utilized in the present calculations. Electrons are assumed not to penetrate electrode surface due to a strong screening of electrolyte at the interface. Electron density functions and ion density functions are obtained, which are also based upon the Poisson equation and Boltzmann equation on either side of the interface. A complete potential profile starting from bulk electrode and ending at bulk electrolyte is obtained by connecting the two potential profiles (one inside the metal electrode, the other inside the electrolyte) with proper boundary conditions. In spite of the simplicity of the model, the present model reveals the importance of the effect of the charged metal on the electrostatic potential profile and the electrical double layer capacitances. The results are discussed and compared with the predictions by Gouy Chapman theory.

• The Journal of Asian Finance, Economics and Business
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• v.4 no.2
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• pp.37-44
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• 2017

This research is devoted to the development of methods general and standard methodological approaches and approbation those for the evaluation of economic potential and level of concentration of the regions of Kazakhstan. This paper presents the results of development of the authors on the selection and justification of the methodological approaches for quantitative evaluation of the economic potential (the degree of territorial differentiation of the profile) and concentration of regions. In this study, we used scientific methods: method of analysis the main trends of economic development, and method of evaluation of concentration of the region. Based on the analysis of foreign techniques developed and tested methodical approaches to the assessment of the economic potential (index and coefficient methods). Proposed methodological approaches to the assessment profile of the territory and developed a system of indicators, which includes an aggregated index of spatial concentration, which accurately reflects the concentration of production in the region. This study shows the results of the analysis of the potential regional disparities and trends of economic development of Kazakhstan. By using, the proposed methodology shows the possibility of their use; we calculated the indicators of integrated assessment of the economic potential and indicators of spatial concentration.

• Journal of the Korean Solar Energy Society
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• v.32 no.2
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• pp.74-86
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• 2012

For the improvement of environmental comfort in the buildings with the blind control, the objective of this study is to prevent the direct glare caused by the daylight inlet. During the process of solar profile prediction, time are significant factors that may cause error and glare during the blind control. This research proposes and evaluates the correction and control method to minimize prediction error. For the local areas with different longitude and local standard meridian, error occurred in the process of the time conversion from local standard time to apparent solar time. In order to correct error in time conversion, apparent solar time should be recalculated after adjusting the day of year and the equation of time. To solve the problems by the potential time errors, control method is suggested to divide the control sections using the calibrated fitting-curve and this method is verified through simulations. The proposed correction and control method, which considered potential time errors by loop lop leap years, could solve the problems about direct glare caused by daylight inlet on the work-plane according to the prediction errors of solar profile. And also these methods could maximize daylight inlet and solar heat gain, because the blocked area on windows could be minimized.

• The Transactions of the Korean Institute of Electrical Engineers C
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• v.53 no.3
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• pp.162-167
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• 2004

The scale model grounding systems to study the behavior of grounding system in uniform soils have been designed and fabricated. Constructional details and instrumentation have been discussed. To verify the accuracy of the results obtained from the experimental tests, they have been compared with computer calculation results. Also, in order to assess the effectiveness of bonding two grounding systems, grounding grid conductors which were downsized as a scale factor of 100:1 were analyzed by using the scale model method. A profile of GPR(Grounding Potential Rise) of each case was measured. The scale model grounding system presented in this paper can be valuable tool to analyze the ground potential profile and ground resistance of practical grounding system.

• Asia Marketing Journal
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• v.24 no.4
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• pp.169-177
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• 2023

In the current study, we explore how women decide whether to accept or reject a potential match offered by a dating app (Tinder). Specifically, we were trying to identify overlying factors that influence the decision and understand how women make a judgment based on limited cues provided by a Tinder profile. Women largely base their decision on the perceived attractiveness and character of the potential match. The findings suggest that attractiveness is highly subjective, with no universal rules that can be quantified; thus, it is hard to predict acceptance of the potential match. There are however factors that contribute significantly to profile rejection, such as a big age difference and the inability to clearly see the face of the person.

• Journal of the Korean Institute of Telematics and Electronics
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• v.22 no.1
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• pp.22-27
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• 1985

본 논문에서는 채널에 붕소를 이온주입하여 불균일한 도우핑 profile을 가지는 n-채럴 MOSFET의 threshold 전압에 대하여 보다 간단한 모델링을 기술하였다. 실제의 도우핑 Profile들 지수적인 Profile을 지수적인 profile로 근이시키고 Poisson방정식과 depletion approximation을 이용하여 실리콘 표면의 Potential, 최대 공핍층의 폭 그리고 threshold 전압을 구하였다. 계산한 threshold 전압이 실험치와 잘 일치한다는 사실은 이온 주입한 MOS소자들에 대하여 지수적인 도우핑 Profile로 근이시킬 수 있다는 타당성을 보여 주고 있다.