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The ab Initio Quantum Mechanical Investigation for the Weakly Bound $H^+_{2n+1}$(n=1-6) Complexes (약한 결합을 갖는 $H^+_{2n+1}$(n=1-6) complex들에 대한 순 이론 양자역학적 연구)

  • In, Eun Jeong;Seo, Hyeon Il;Kim, Seung Jun
    • Journal of the Korean Chemical Society
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    • v.45 no.5
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    • pp.401-412
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    • 2001
  • The geometrical parameters, vibrational frequencies, and dissociation energies for $H_{2n+1}^+$ (n=1~6) clusters have been investigated using high level ab initio quantum mechanical techniques with large basis sets. The equilibrium geometries have been optimized at the self-consistent field (SCF), the single and double excitation configuration interaction (CISD), the coupled cluster with single and double excitation (CCSD), and the CCSD with connected triple excitations [CCSD(T)] levels of theory. The highest levels of theory employed in this study are TZ2P+d CCSD(T) up to $H^+_g$ and TZ2P CCSD(T) for $H_{11}^+$ and $H_{13}^+$. Harmonic vibrational frequencies are also determined at the SCF level of theory with various basis sets and confirm that all the optimized geometries are true minima. The dissociation energies, $D_e$, for $H_{2n+1}^+$ (n=26) have been predicted using energy differences at each optimized geometry and zero-point vibrational energies(ZPVEs) have been considered to compare with experimental dissociation energies, $D_0$.

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Protein structure analysis : Pharmacophore study for new insecticide target AnCE using the substrate of ACE, HHL molecule (단백질의 구조연구 : ACE의 기질 HHL을 이용한 신규 살충제 표적 AnCE에 대한 약리단 연구)

  • Lee, Jung-Kyung;Kim, Kyeong-Yee
    • The Korean Journal of Pesticide Science
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    • v.9 no.3
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    • pp.191-198
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    • 2005
  • Hippuryl-L-histidyl-L-leucine (Hip-L-His-L-Leu, HHL) is the known substrate of ACE, which used often in inhibition kinetic study to design new inhibitor. Here we use HHL molecule as a template to predict pharmacophore which can interact with residues in active site of AnCE, new potential insecticide target protein. To explain physicochemical properties related to molecular geometry and conformational change in reaction field as well as electron density of atoms associated to pharmacophores, geometry optimization, NMR chemical shifts and natural population analysis were performed by ab initio and DFT method. Calculated NMR chemical shifts showed good agreement with the experimental ones and obtained electron densities were used for analyzing pharmacophores of corresponding atoms. Finally, we could extract aye pharmacophores related to hydrophobic aliphatic and aromatic site, hydrogen bonding donor and acceptor site and Zn binding site from the HHL molecule.

A Study on Korean Inbound Tourism Market Efficiency Strategy Using Portfolio Theory (포트폴리오 이론을 적용한 한국 인바운드 관광 효율화 전략 연구)

  • Son, Sae Hyeong;Park, Jae Eun;Kim, Eunmi;Koo, Chulmo;Han, Ingoo
    • Knowledge Management Research
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    • v.21 no.4
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    • pp.265-285
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    • 2020
  • The inbound tourism market is recognized as a vital sector of the tourism industry today, but it is highly volatile due to each country's economic, social, and cultural variables. The causes of volatility vary according to the inbound country, and we intend to revitalize the stabilized tourism industry by minimizing risks. In this study, the portfolio theory was applied to derive the optimal combination for each country to achieve the minimum risk level's maximum growth rate. The number of inbound travelers and the average expenditure per person was simultaneously applied. As a result of the analysis, the best mix by country based on the number of inbound travelers was the UK, the United States, Germany, China, and Japan. Based on average spending, each country's best combinations were Thailand, Middle East, Singapore, Japan, Russia, Hong Kong, and Germany. It is expected to be able to establish a plan to operate the Korean inbound tourism market strategically.

A Factor Analysis of Motivation To Learn Among Korean Elementary School Children (한국 초등학생의 학습동기 요인 분석)

  • Jong-Jin Jeong
    • Korean Journal of Culture and Social Issue
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    • v.14 no.1_spc
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    • pp.167-186
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    • 2008
  • This study is to investigate, from the perspective of implicit theory, what elements influence children's motivation to learn and how their configurations are different according to different sexes. One analysis was based on answers to a motivation questionnaire by fourth to sixth graders from four different cities in South Korea. The subjects children were most highly motivated to learn were math and science for boys, and math and English for girls, respectively. Factors influencing the motivation were near 30 in number, including later happier life, joy of learning, parental rewards, pleasure of being informed, and meeting parental expectations, among others. Another analysis was an exploratory and confirmative factor analysis on motivation to learn among 856 fourth to sixth graders randomly sampled from 7 different cities all over South Korea. Factors revealed to contribute to the motivated learning here were five factors of utility, interest, recognition, knowledge acquisition(being informed), and expectancy sufficiency. There were some differences in the structure of factors between sexes; importance was given to five factors of utility, interest, recognition, knowledge acquisition, and expectancy sufficiency in descending order for boys, and six factors of interest, utility, rewards, recognition, expectancy sufficiency, and competition for girls.

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A Bandwidth a Allocation Scheme based on Bankruptcy theory in Distributed Mobile Multimedia Network (분산 모바일 멀티미디어 통신망에서 파산이론을 적용한 대역폭 할당기법)

  • Jeong, Seong Soon
    • Journal of the Institute of Electronics and Information Engineers
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    • v.50 no.4
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    • pp.246-251
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    • 2013
  • In this paper, it is proposed a bandwidth allocation Scheme based on Bankruptcy theory in Distributed Mobile Multimedia Network. The proposed scheme is guaranteed a minimum allocation. So, the minimum quality of each service are guaranteed. Therefore efficient and fairness network can be configured. The performance evaluation results indicate that the proposed scheme has good performance than other existing schemes by the fairness index and the Erlang blocking formular calculation. The minimum bandwidth of the proposed scheme can be applied to other techniques of a priority based bandwidth allocation scheme and dynamic bandwidth allocation scheme.

Permeability Reduction of Soil Filters due to Physical Clogging (물리적 폐색으로 인한 흙필터의 투수능 저하)

  • ;;;;Reddi, L. N.
    • Journal of the Korean Geotechnical Society
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    • v.17 no.1
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    • pp.15-24
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    • 2001
  • 흙필터는 일반적으로 침식이나 파이핑으로부터 지반 구조물을 보호하기 위하여 사용된다. 세립자들이 유동하여 필터에 퇴적하는 폐색현상이 발생하는 경우, 간극수압이 증가하고 이로 인해 지반구조물의 불안정을 유발시키게 된다. 미세입자의 유동에 의한 폐색현상은 옹벽의 뒤채움재에 설치한 필터, 흙댐의 저부에 설치된 필터, 그리고 터널의 라이닝 뒤에 설치한 필터 등에서 발생할 수 있다. 폐색현상은 필터의 투수능을 저하시켜 배수능력에 상당한 위험을 초래할 수 있다. 본 연구에서는 필터의 폐색으로 인한 투수능 저하 정도를 실험을 통해 관찰하고 이론적인 모델을 통해 정량화 시키고자 하였다. 일정한 농도의 현탁액이 필터로 유입되는 분리형 실험과 현장상태를 모사하는 흙-필터 시스템의 결합형 실험을 통해 투수능의 저하현상이 압력 제어조건과 유량 제어조건에서 관찰되었고, 서로 비교 분석되었다. 미세입자가 통과하는 필터의 간극을 모세관으로 가정한 후 모세관에서 유체의 흐름 원리를 이용하여 물리적인 폐색에 의해 발생하는 투수능 저하현상을 이론적인 모델로 구성하였다. 일반적으로 투수능은 1/10 수준으로 감소되었으며, 분리형 실험에 의한 결과와 이론적인 모델의 결과는 잘 일치하였다. 또한, 결합형 실험결과와 분리형 실험결과가 비교적 잘 일치하여 투수능 저하예측은 분리형 실험이나 이론적 모델에 의하여 가능하리라 판단되었다.

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The Theoretical Generalization Appling the Strategy(WIOS) finding an Intrinsic Attribute (본질적 속성 찾기 전략(WIOS)을 통한 이론적 일반화)

  • Roh, Eun-Hwan;Jun, Young-Bae;Kang, Jeong-Gi
    • Communications of Mathematical Education
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    • v.26 no.1
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    • pp.51-69
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    • 2012
  • The cognition of an intrinsic attribute play an important role in the process of theoretical generalization. It is the aim of this paper to study how the theoretical generalization is made. First of all, we suggest the What-if-only-strategy(WIOS) which is the strategy helping the cognition of an intrinsic attribute. And we propose the process of the theoretical generalization that go on the cognitive stage, WIOS stage, conjecture stage, justification stage and insight into an intrinsic attribute in order. We propose the process of generalization adding the concrete process cognizing an intrinsic attribute to the existing process of generalization. And we applied the proposed process of generalization to two mathematical theorem which is being managed in middle school. We got a conclusion that the what-if-only strategy is an useful method of generalization for the proposition. We hope that the what-if-only strategy is helpful for both teaching and learning the mathematical generalization.

An Analysis on Research Trend in Eco-Early Childhood Education (생태유아교육 연구동향 분석 -학위 논문을 중심으로-)

  • Son, Eun-Kyoung
    • The Journal of the Korea Contents Association
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    • v.16 no.7
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    • pp.566-574
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    • 2016
  • The purpose of this study was to determine the viewing trends in eco-childhood education. Analyte is analyzed, such as from 10 March 2008 and 2015 annual target of 97 pieces of thesis until March trends, research content, research methods. As a result, first, the ecological childhood education subjects infant destination, Teachers, took place in indoor and outdoor environments subject, parent targeted net was a study of the most frequent targets 5 years of single age, 4 years old, 3 years old, It was a three-order. Second, the research method consisted of the most experimental studies. Third, research topics include ecology toddler exploring related variables of education, ecological infant was the most common educational programs academic and theoretical basis for the direction sought, ecological Early Childhood Curriculum understanding and national levels of the education process, linking childcare courses, ecology teacher education the program was in order. Fourth, training in experiential learning is the most common forest garden gardening had appeared, walking activities, ecology, art, spirituality, work, raise animals and plants, environmental education in order.

Personalization Design in the Integrated Customer Relationship Management (통합 CRM에서의 개인화 설계에 관한 이론적 연구)

  • Ko, Kyung-Sun
    • International Commerce and Information Review
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    • v.3 no.1
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    • pp.157-176
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    • 2001
  • 국내외 마케팅에 있어서 경쟁의 심화로 말미암아 새로운 고객의 획득에 따른 비용-효과보다 기존고객과의 관계유지를 위하여 고객의 평생가치를 높이도록 노력하는 것이 오히려 효과적인 경우가 많아졌다. 이러한 관계마케팅의 개념은 최근 마케팅을 포함한 기업경영 전반에 적용되는 고객관계관리(CRM)로 확장되고 있다. 또한 인터넷 기반의 e CRM이 고객행동의 분석도구를 거의 정확하고도 실시간으로 파악할 수 있게 함으로써 통합적 CRM의 아키텍쳐와 솔루션이 개발, 적용되고 있다. 통합 CRM에서의 고객은 B2B이든 B2C이든 간에 개별(개인) 고객을 가리키며, 개별 고객의 니즈와 요구를 적절하게 충족시킬 수 있도록 개인화 시스템을 구축하여 관리하는 것이 중요하다. 따라서 본 논문에서는 통합 CRM의 기본 틀과 시스템을 비롯하여 개인화 설계를 어떻게 할 것인가에 관한 사례 및 실증분석에 앞서 그 배경 지식을 정리하고자 이론적 탐구를 하였다.

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Analytical Steady-State Jet Reattachment Model for a Wall-Attachment Fluid Amplifier (측벽부착형 순류체소자의 분류재접합 모델에 관한 연구)

  • Chang, H. W.
    • Transactions of the Korean Society of Mechanical Engineers
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    • v.7 no.2
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    • pp.218-225
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    • 1983
  • 측벽부착형 순유체조자에서 제어입력이 존재할 때 2차원 난류제트가 오프셋된 경사면에 재접합하 는 현상을 연구하였고 정상상태하의 재접합모델을 이론적으로 전개하였다. 순유체조자의 상하면 이 제트의 확산에 미치는 영향을 조사하기 위하여 제트의 중심선에 따라 최대속도를 측정하였고, 그 결과에 따라 본 모델에 사용한 제트확산계수(.sigma.)의 값은 자유제트의 것 (.sigma.=7.67)보 다 큰 .sigma.=10.5로 택하였다. 이론적 모델을 확증하기 위하여 제트의 재접합점과 변형각도에 관한 기존 논문에 보고된 실험적 연구결과와 비교하여 좋은 일치를 보았다.