• Title/Summary/Keyword: Charge Calculation

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Molecular Orbital Interpretation on Antitumor Activity of trans-Palladium(Ⅱ) Complexes by Geometrical Structure of Ligands (Ⅰ) (리간드의 기하학적 구조에 의한 trans-팔라듐(Ⅱ) 착물의 항암활성에 관한 분자궤도함수론적 해석 (Ⅰ))

  • Song, Young Dae;Park, Byung Kak
    • Journal of the Korean Chemical Society
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    • v.39 no.4
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    • pp.244-251
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    • 1995
  • The palladium(II) complexes(where, [Pd(L)2X2], L=isoxazole(isox), 3,5-dimethylisoxazole(3,5-diMeisox), 3-methyl, 5-phenylisoxazole(3-Me, 5-Phisox), and 4-amino, 3,5-dimethylisoxazole(4-ADI); X=Cl, Br] with isoxazole and its derivatives are investigated on antitumor activity by EHMO calculation. It is found that the net charge of the two halogen atoms in trans-isomers are greater than those in cis-ones, indicating that ionic character of Pd-X bond in trans-isomers is greater than that of cis-ones, and so dissociation of Cl- ion is easier than that of Br- ion in aqueous solution in body. Furthermore, it is found that the ${\sigma}MO$ energy of Pd(dx2-y2)-X(px) bond $(E{\sigma}(Pd-X))$ is higher than that of Pd(dx2-y2)-N(px) bond $(E{\sigma}(Pd-N))$ without exception, about all the complexes, and also the $E{\sigma}(Pd-X)$ of trans-isomers is higher than that of cis-isomers. From the above facts, the degree of dissociation in Pd-X bond would be related to antitumor activity. In fact, the linear equation of correlation coefficient 0.96 is fairly established between ${\Delta}E{\sigma}(N-X)(E\sigma(Pd-N)-E{\sigma}(Pd-X))$ and inhibitory activity coefficient, logIA.

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A Research on PV-connected ESS dissemination strategy considering the effects of GHG reduction (온실가스감축효과를 고려한 태양광 연계형 에너지저장장치(ESS) 보급전략에 대한 연구)

  • Lee, Wongoo;KIM, Kang-Won;KIM, Balho H.
    • Journal of Energy Engineering
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    • v.25 no.2
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    • pp.94-100
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    • 2016
  • ESS(Energy Storage System) is an important source that keeps power supply stable and utilizes electricity efficiently. For example, ESS contributes to resolve power supply imbalance, stabilize new renewable energy output and regulate frequency. ESS is predicted to be expanded to 55.9GWh of installed capacity by 2023, which is 30 times more than that of 2014. To raise competitiveness of domestic ESS industry in this increasing world market, we have disseminated load-shift ESS for continuous power supply imbalance with FR ESS, and also necessity to secure domestic track record is required. However in case of FR ESS, utility of installing thermal power plant is generally generated within 5% range of rated capacity, so that scalability of domestic market is low without dramatic increase of thermal power plant. Necessity of load-shift ESS dissemination is also decreasing effected by surplus backup power securement policy, raising demand for new dissemination model. New dissemination model is promising for $CO_2$ reduction effect in spite of intermittent output. By stabilizing new renewable energy output in connection with new renewable energy, and regulating system input timing of new renewable energy generation rate, it is prospected model for 'post-2020' regime and energy industry. This research presents a policy alternatives of REC multiplier calculation method to induce investment after outlining PV-connected ESS charge/discharge mode to reduce GHG emission, This alternative is projected to utilize GHG emission reduction methodology for 'Post-2020' regime, big issue of new energy policy.

A Case Study on the Blasting Analysis of Slope Using Monitored Vibration Waveform (실측진동파형을 이용한 비탈면 발파진동 해석 사례)

  • Park, Do-Hyun;Cho, Young-Gon;Jeon, Seok-Won
    • Explosives and Blasting
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    • v.24 no.2
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    • pp.41-50
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    • 2006
  • Excavation by explosives blasting necessarily involves noise and vibration, which is highly prone to face claims on the environmental and structural aspects from the neighbors. When the blasting carried out in the vicinity of a structure, the effect of blasting vibration on the stability of the structure should be carefully evaluated. In the conventional method of evaluation, an equation for blast vibration is obtained from test blasting which is later used to determine the amount of charge. This method, however, has limitations in use since it does not consider topography and change in ground conditions. In order to overcome the limitations, dynamic numerical analysis is recently used in continuum or discontinuous models, where the topography and the ground conditions can be exactly implemented. In the numerical analysis for tunnels and rock slopes, it is very uncommon to simulate multi-hole blasting. A single-hole blasting pressure is estimated and the equivalent overall pressure at the excavation face is used. This approach based on an ideal case usually does not consider the ground conditions. And this consequently results in errors in calculation. In this presentation of a case study, a new approach of using blast waves obtained in the test blast is proposed. The approach was carried out in order to improve the accuracy in calculating blasting pressure. The stability of a structure in the vicinity of a slope blasting was examined using the newly proposed method.

On the Decomposition of Dimethyl-2, 2-dichlorovinylphosphate (Dimethyl-2, 2-dichlorovinylphosphate의 분해반응에 관한 연구)

  • Sung, Nack-Do;Park, Seung-Heui
    • Applied Biological Chemistry
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    • v.26 no.2
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    • pp.125-131
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    • 1983
  • Formal net charges, bond populations, atomic orbital coefficients, energy components and conformation of dimethyl-2,2-dichlorovinylphosphate have been studied theoretically by using the CNDO/2 molecular orbital calculation method in attempt to describe the reactivity and the stability of the molecule. From the analysis of rate equation, molecular orbital calculations and identification of the hydrolysis products, 2,2-dichloroacetaldehyde and dimethylphosphoric acid, a mechanism of the hydrolysis of dimethyl-2,2-dichlorovinylphosphate(DDVP) has been proposed. The hydrolysis of DDVP proceeds through the mechanism of nucleophilic addition, typical Micheal reaction in basic media. Therefore, it appears probable that the attack by strong nucleophile, hydroxide ion occurs at the increased positive charge $C_2({\alpha})$ atom of a staggered conformation due to the inductive effect (-)I>(+)R of 2,2-dichlorovinyl, electron-attracting group. And then, the hydrolytic scission involves the $C_2({\alpha})-O_3$, ${\pi}-anti-bonding\;orbital({\pi}^*)$ in the subsequent reaction in aqueous solution.

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A Study on Public Interest-based Technology Valuation Models in Water Resources Field (수자원 분야 공익형 기술가치평가 시스템에 대한 연구)

  • Ryu, Seung-Mi;Sung, Tae-Eung
    • Journal of Intelligence and Information Systems
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    • v.24 no.3
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    • pp.177-198
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    • 2018
  • Recently, as economic property it has become necessary to acquire and utilize the framework for water resource measurement and performance management as the property of water resources changes to hold "public property". To date, the evaluation of water technology has been carried out by feasibility study analysis or technology assessment based on net present value (NPV) or benefit-to-cost (B/C) effect, however it is not yet systemized in terms of valuation models to objectively assess an economic value of technology-based business to receive diffusion and feedback of research outcomes. Therefore, K-water (known as a government-supported public company in Korea) company feels the necessity to establish a technology valuation framework suitable for technical characteristics of water resources fields in charge and verify an exemplified case applied to the technology. The K-water evaluation technology applied to this study, as a public interest goods, can be used as a tool to measure the value and achievement contributed to society and to manage them. Therefore, by calculating the value in which the subject technology contributed to the entire society as a public resource, we make use of it as a basis information for the advertising medium of performance on the influence effect of the benefits or the necessity of cost input, and then secure the legitimacy for large-scale R&D cost input in terms of the characteristics of public technology. Hence, K-water company, one of the public corporation in Korea which deals with public goods of 'water resources', will be able to establish a commercialization strategy for business operation and prepare for a basis for the performance calculation of input R&D cost. In this study, K-water has developed a web-based technology valuation model for public interest type water resources based on the technology evaluation system that is suitable for the characteristics of a technology in water resources fields. In particular, by utilizing the evaluation methodology of the Institute of Advanced Industrial Science and Technology (AIST) in Japan to match the expense items to the expense accounts based on the related benefit items, we proposed the so-called 'K-water's proprietary model' which involves the 'cost-benefit' approach and the FCF (Free Cash Flow), and ultimately led to build a pipeline on the K-water research performance management system and then verify the practical case of a technology related to "desalination". We analyze the embedded design logic and evaluation process of web-based valuation system that reflects characteristics of water resources technology, reference information and database(D/B)-associated logic for each model to calculate public interest-based and profit-based technology values in technology integrated management system. We review the hybrid evaluation module that reflects the quantitative index of the qualitative evaluation indices reflecting the unique characteristics of water resources and the visualized user-interface (UI) of the actual web-based evaluation, which both are appended for calculating the business value based on financial data to the existing web-based technology valuation systems in other fields. K-water's technology valuation model is evaluated by distinguishing between public-interest type and profitable-type water technology. First, evaluation modules in profit-type technology valuation model are designed based on 'profitability of technology'. For example, the technology inventory K-water holds has a number of profit-oriented technologies such as water treatment membranes. On the other hand, the public interest-type technology valuation is designed to evaluate the public-interest oriented technology such as the dam, which reflects the characteristics of public benefits and costs. In order to examine the appropriateness of the cost-benefit based public utility valuation model (i.e. K-water specific technology valuation model) presented in this study, we applied to practical cases from calculation of benefit-to-cost analysis on water resource technology with 20 years of lifetime. In future we will additionally conduct verifying the K-water public utility-based valuation model by each business model which reflects various business environmental characteristics.

Analysis on the Use Characteristics of Citizen based on Urban Green Spaces Type - Focuses on Suwon-City - (도시녹지 유형에 따른 도시민의 이용 특성 연구 - 수원시를 대상으로 -)

  • Kim, Yea Sung;Kim, Hyun;Ko, Jinsoo
    • Journal of the Korean Institute of Landscape Architecture
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    • v.42 no.5
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    • pp.31-40
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    • 2014
  • The importance of green spaces in the city is growing each day. Local governments are taking charge of park development works that are having difficulty in developing and managing urban parks due to high land value as well as a shortage in finances. This is even though an urban park is defined as an urban planning facility and the law provides park area per person. Civil residents, meanwhile, are using not only urban parks provided by law but also other green areas such as rivers, reservoirs, and school playgrounds because they recognize urban green areas by the concept of use. In this study, accordingly, urban green areas were sorted into two types, urban parks, parks provided by law, and other green areas, and the difference in use pattern and use satisfaction by type was analyzed. As a result of analysis, there was no remarkable difference between the two types. According to such results, it was found that it is necessary to include other green areas, such as rivers, reservoirs, school green areas, and apartment green areas in addition to the current park green areas provided by law when park area per person is calculated, and such calculation of urban green areas reflecting local characteristics can reduce local governments' financial burden and improve the effectiveness of future urban park policies. It is judged that such results can become a plan against the cancellation of unexecuted urban facilities. The fact that accessibility factors, such as road satisfaction, access convenience, and convenient movement, are affecting satisfaction with the use of urban parks suggests that it is important to improve urban park accessibilities rather than to quantitatively expand park area in order to improve satisfaction with urban parks. Considering that people travel to urban green areas mostly by walking, it is necessary for access convenience to conduct follow-up studies such as barrier-free and securing walking stability through analysis of routes to urban green areas.

A First-principles Study on the Effects on Magnetism of Si Impurity in BCC Fe by Considering Spin-orbit Coupling (스핀-궤도 상호작용을 고려한 Si 불순물이 BCC Fe의 자성에 미치는 영향에 대한 제일원리연구)

  • Rahman, Gul;Kim, In-Gee;Chang, Sam-Kyu
    • Journal of the Korean Magnetics Society
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    • v.18 no.6
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    • pp.211-216
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    • 2008
  • The effects of Si impurity on electronic structures and magnetism of bcc Fe are investigated by using a first-principles method by considering spin-orbit coupling. In order to describe the Si impurity, a 27 atomic bcc Fe supercell has been considered. The Kohn-Sham equation was solved in terms of the all-electron full-potential linearized augmented plane wave (FLAPW) method within the generalized gradient approximation (GGA). The effects of spin-orbit coupling were calculated self-consistently by considering spin-diagonal terms based on second variation method. For the ferromagnetic (FM) state without considering SOC, the spin magnetic moment of the Si impurity was calculated to be $-0.143{\mu}B$, while the magnetic moments of Fe atoms were calculated to be $2.214{\mu}B$, $2.327{\mu}B$, and $2.354{\mu}B$ in away from the Si atom, respectively. However, the FM state with considering SOC, the spin magnetic moment of the Si impurity was calculated to be $-0.144{\mu}B$, which is not affected significantly by SOC, but the spin magnetic moments of Fe atoms were calculated $2.189{\mu}B$, $2.310{\mu}B$, and $2.325{\mu}B$, respectively, which are much reduced value compared to those of the FM state without SOC. Comparing the total charge density and spin density, those features are thought to be originated by the screening distortions of the Fe $t_{2g}$ orbital, which can be obtained by considering SOC.

Diagnosis and Improvements Plan Study of CIPP Model-based Vocational Competency Development Training Teacher Qualification Training (Training Course) (CIPP 모형 기반 직업능력개발훈련교사 자격연수(양성과정) 진단 및 개선 방안 연구)

  • Bae, Gwang-Min;Woo, Hye-Jung;Choi, Myung-Ran;Yoon, Gwan-Sik
    • Journal of vocational education research
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    • v.36 no.2
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    • pp.95-121
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    • 2017
  • The vocational competency development training teacher must complete the training course for the training of vocational competency development training instructor and get the qualification of the vocational competency development training teacher from the Ministry of Employment & Labor with the criteria set by the Presidential Decree. Therefore, it can be said that H_university 's educational performance, which is the only vocational competency development training teacher in Korea and that plays a role of mass production in the labor market, has a great influence on vocational competency development training. The purpose of this study is to identify the problems through the analysis of actual condition of vocational competency development training education based on CIPP model, Furthermore, it was aimed to suggest improvement plan of qualification training education. In order to accomplish the purpose of the research, the present situation of the training course for the vocational competency development training teacher training students was grasped. And We conducted a survey to draw out the improvement plan and utilized the results of 173 copies. We conducted interviews by selecting eight subjects for in-depth analysis and Understand the details of the results of the surveys conducted. As a result of the study, positive responses were obtained from the educational objectives and educational resources in the context factors. On the other hand, there were negative opinions about the curriculum reflecting the learner and social needs. In the input factors, positive opinions were derived from the educational objectives and training requirements. However, there were many negative opinions about the achievement of the learner's educational goals. In addition, there were many negative opinions of online contents education. In the process factors, positive evaluation was high in class related part, learner attendance management, and institutional support. However, negative opinions were drawn on the comprehensive evaluation of qualification training period, and the learner's burden due to lack of learning period appeared to be the main reason. In the factor of calculation, Positive opinions were derived from the applicability of the business curriculum for training courses for training teachers who are in charge of education and training in industry occupations. However, there were negative opinions such as learning time, concentration of learning, and communication of instructors. Based on the results of the study, suggestions for improving the operation of vocational competency training teacher qualification training are as follows. First, it is necessary to flexibly manage the training schedule for the weekly training course for vocational competency development training teachers. Second, it is necessary to seek to improve the online education curriculum centered on consumers. Third, it is necessary to seek access to qualification training for local residents. Fourth, pre - education support for qualified applicants is required. Finally, follow-up care of qualified trainees is necessary.

Analysis of Munitions Contract Work Using Process Mining (프로세스 마이닝을 이용한 군수품 계약업무 분석 : 공군 군수사 계약업무를 중심으로)

  • Joo, Yong Seon;Kim, Su Hwan
    • Journal of Intelligence and Information Systems
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    • v.28 no.4
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    • pp.41-59
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    • 2022
  • The timely procurement of military supplies is essential to maintain the military's operational capabilities, and contract work is the first step toward timely procurement. In addition, rapid signing of a contract enables consumers to set a leisurely delivery date and increases the possibility of budget execution, so it is essential to improve the contract process to prevent early execution of the budget and transfer or disuse. Recently, research using big data has been actively conducted in various fields, and process analysis using big data and process mining, an improvement technique, are also widely used in the private sector. However, the analysis of contract work in the military is limited to the level of individual analysis such as identifying the cause of each problem case of budget transfer and disuse contracts using the experience and fragmentary information of the person in charge. In order to improve the contract process, this study analyzed using the process mining technique with data on a total of 560 contract tasks directly contracted by the Department of Finance of the Air Force Logistics Command for about one year from November 2019. Process maps were derived by synthesizing distributed data, and process flow, execution time analysis, bottleneck analysis, and additional detailed analysis were conducted. As a result of the analysis, it was found that review/modification occurred repeatedly after request in a number of contracts. Repeated reviews/modifications have a significant impact on the delay in the number of days to complete the cost calculation, which has also been clearly revealed through bottleneck visualization. Review/modification occurs in more than 60% of the top 5 departments with many contract requests, and it usually occurs in the first half of the year when requests are concentrated, which means that a thorough review is required before requesting contracts from the required departments. In addition, the contract work of the Department of Finance was carried out in accordance with the procedures according to laws and regulations, but it was found that it was necessary to adjust the order of some tasks. This study is the first case of using process mining for the analysis of contract work in the military. Based on this, if further research is conducted to apply process mining to various tasks in the military, it is expected that the efficiency of various tasks can be derived.