• Title/Summary/Keyword: Path Theory

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Theoretical Studies of the Gas-Phase Identity Nucleophilic Substitution Reactions of Cyclopentadienyl Halides

  • Lee, Ik-Choon;Li, Hong-Guang;Kim, Chang-Kon;Lee, Bon-Su;Kim, Chan-Kyung;Lee, Hai-Whang
    • Bulletin of the Korean Chemical Society
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    • v.24 no.5
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    • pp.583-592
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    • 2003
  • The gas phase identity nucleophilic substitution reactions of halide anions (X = F, Cl, Br) with cyclopentadienyl halides (1) are investigated at the B3LYP/6-311+G**, MP2/6-311+G** and G2(+)MP2 levels involving five reaction pathways: σ-attack $S_N2$, β-$S_N$2'-syn, β-$S_N$2'-anti, γ-$S_N$2'-syn and γ-$S_N$2'-anti paths. In addition, the halide exchange reactions at the saturated analogue, cyclopentyl halides (2), and the monohapto circumambulatory halide rearrangements in 1 are also studied at the same three levels of theory. In the σ-attack $S_N2$ transition state for 1 weak positive charge develops in the ring with X = F while negative charge develops with X = Cl and Br leading to a higher energy barrier with X = F but to lower energy barriers with X = Cl and Br than for the corresponding reactions of 2. The π-attack β-$S_N$2' transition states are stabilized by the strong $n_C-{\pi}^{*}_{C=C}$ charge transfer interactions, whereas the π-attack γ-$S_N$2' transition states are stabilized by the strong $n_C-{\sigma}^{*}_{C-X}$ interactions. For all types of reaction paths, the energy barriers are lower with X = F than Cl and Br due to the greater bond energy gain in the partial C-X bond formation with X = F. The β-$S_N$2' paths are favored over the γ-$S_N$2' paths only with X = F and the reverse holds with X = Cl and Br. The σ-attack $S_N2$ reaction provides the lowest energy barrier with X = Cl and Br, but that with X = F is the highest energy barrier path. Activation energies for the circumambulatory rearrangement processes are much higher (by more than 18 kcal $mol^{-1}$) than those for the corresponding $S_N2$ reaction path. Overall the gas-phase halide exchanges are predicted to proceed by the σ-attack $S_N2$ path with X = Cl and Br but by the β-$S_N$2'-anti path with X = F. The barriers to the gas-phase halide exchanges increase in the order X = F < Br < Cl, which is the same as that found for the gas-phase identity methyl transfer reactions.

The study for Improving Arc Extinction Capability of DC Magnetic Switch (직류전자 접촉기의 아크 소호력 향상)

  • Cho, Hyun-Kil;Lee, Eun-Woong;Lim, Su-Saeng;Lee, Hwa-Su;Sea, Jeong-Min;Kim, Gyun-Muk
    • Proceedings of the KIEE Conference
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    • 2002.07b
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    • pp.888-890
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    • 2002
  • We derived a theory of increasing electromagnetic force acting on arc column for reducing arcing time between electric contacts. A simulation method of arc velocity is presented by calculating blowout force using 3D FEM and drag acting on arc column. This paper is proposed 3 types arc extinguish chamber of different fulx path and is presented electromagnetic force and arc velocity of each model.

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The Financial Management Behavior and Financial Satisfaction of Urban Households (도시가계의 재무관리행동과 재정만족도)

  • 조미환
    • Journal of Families and Better Life
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    • v.16 no.3
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    • pp.141-154
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    • 1998
  • The purpose of this study was to examine a path model that investigated the relations among socioeconomic variables. financial management and financial satisfaction of urban households. for this purpose conceptual framework based on the system theory of family resource management was suggested. Data were collected from questionaire with 254 financial managers who were residents of Seoul. The major findings of this study were as follows: (1) The variables that effected financial satisfaction directly ere financial knowledge monthly saving amounts the gap between the level and standard of living and financial implementing. The financial planning effected indirectly on financial satsfaction through financial implementing. (2) The findings of this study provided support for a systems approach to family financial management. There result indicated that it is the combined effect of inputs and throughputs that effects the output of financial satisfaction.

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New phenomena associated with the nonlinear dynamics and stability of autonomous damped systems under various types of loading

  • Sophianopoulos, Dimitris S.
    • Structural Engineering and Mechanics
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    • v.9 no.4
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    • pp.397-416
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    • 2000
  • The present study deals with the nonlinear dynamics and stability of autonomous dissipative either imperfect potential (limit point) systems or perfect (bifurcational) non-potential ones. Through a fully nonlinear dynamic analysis, performed on two simple 2-DOF models corresponding to the classes of systems mentioned above, and with the aid of basic definitions of the theory of nonlinear dynamical systems, new important phenomena are revealed. For the first class of systems a third possibility of postbuckling dynamic response is offered, associated with a point attractor on the prebuckling primary path, while for the second one the new findings are chaos-like (most likely chaotic) motions, consecutive regions of point and periodic attractors, series of global bifurcations and point attractor response of always existing complementary equilibrium configurations, regardless of the value of the nonconservativeness parameter.

TAFEM을 이용한 터널 예제 해석

  • Jo, Seon-Gyu;Jeong, Jae-Dong;Eom, Jong-Uk
    • Proceedings of the Korean Geotechical Society Conference
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    • 1991.10a
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    • pp.216-232
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    • 1991
  • This Finite Element Program(TAFEM) has been developed to be able to carry out the structural analsis of tunnel section and simulate the surrounding ground behaviour due to New Austrian Tunnelling Method, of which main support is the surrounding ground, itself. The Elasto-plastic theory has been applied. The used finite elements are 8-noded isoparametric element(rock & shotcrete), 2 or 3-noded rod element(rock bolt) and infinite boundary element. The load incremental method and tangential stiffness method has been used. Associated flow rule was applied to plastic flow and yield criteria inclued not only Mohr-Coulomb but also Drucker-Prager. In this paper, Drucker-Prager yield criterion has been used. The relationship between plastic strain and stress is based on the incremental strain concept and stress-strain equation on the basis of the stress path of each gauss point has been adopted. It may be rational that rock is considered to be no-tension material, so that no-tension analysis has been adopted in accordance with the brittle fracture constitutive equation.

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A Design of Fuzzy-Neural Network Controller of Wheeled-Mobile Robot for Path-Tracking (구륜 이동 로봇의 경로 추적을 위한 퍼지-신경망 제어기 설계)

  • Park Chongkug;Kim Sangwon
    • Journal of Institute of Control, Robotics and Systems
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    • v.10 no.12
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    • pp.1241-1248
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    • 2004
  • A controller of wheeled mobile robot(WMR) based on Lyapunov theory is designed and a Fuzzy-Neural Network algorithm is applied to this system to adjust controller gain. In conventional controller of WMR that adopts fixed controller gain, controller can not pursuit trajectory perfectly when initial condition of system is changed. Moreover, acquisition of optimal value of controller gain due to variation of initial condition is not easy because it can be get through lots of try and error process. To solve such problem, a Fuzzy-Neural Network algorithm is proposed. The Fuzzy logic adjusts gains to act up to position error and position error rate. And, the Neural Network algorithm optimizes gains according to initial position and initial direction. Computer simulation shows that the proposed Fuzzy-Neural Network controller is effective.

The Workplace Empowerment on Staff Nurses' Organizational Commitment and Intent to Stay (임상간호사가 지각하는 임파워먼트, 조직몰입 및 잔류의도)

  • Yom, Young-Hee
    • Journal of Korean Academy of Nursing Administration
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    • v.12 no.1
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    • pp.23-31
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    • 2006
  • Purpose: The purpose of this study was to test the empowerment structural model based on Kanter's work empowerment theory. Method: A predictive, nonexperimental design was used in a sample of 279 nurses from 3 university affiliated hospitals. Data were collected with self-administered questionnaires and analyzed using mean, standard deviation, pearson correlation coefficient and path analysis. Results: The results showed that the overall fitness of the hypothethical model to the data was good(chi-square=.7751, df=4, p=.942, GFI=.999, AGFI=.996, RMSEA=.000). Both formal power and informal power directly influenced on nurses' perceived empowerment level and empowerment directly influenced on nurses' organizational commitment and indirectly influenced on nurses' intent to stay. Conclusion: The results imply that hospital and nurse managers should provide the empowering working condition for nurses to be stayed in hospitals.

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LCD backlighting system with high luminance and good uniformity (LCD backlight unit의 고분자 산란형 도광판에 관한 연구)

  • Jung, Il-Yong;Park, Woo-Sang
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2000.04a
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    • pp.173-176
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    • 2000
  • we analyzed multiple ray tracing in the highly scattering optical transmission(HSOT) polymer plate by means of the Monte carlo simulation. Light transmission behavior in the light guide was simulated by a 3-dimensional ray tracing program considering scattering angle given by the Mie theory and mean free path. To improve the uniformity of the conventional HSOT backlight unit, We employed additionally dot patterns. For the proposed structure, we calculated the light transmission behavior and obtained a bright and uniform backlight unit for a large size LCD panel of more than 12 inch.

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A Multiport Memory Allocation Algorithm for Optimizing Interconnections in Data Path Synthesis (데이터 경로 합성에서의 연결선 최적화를 위한 다중포트 메모리 할당 알고리즘)

  • Kim, Tae-Hwan;Hong, Seong-Baek
    • Journal of KIISE:Computer Systems and Theory
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    • v.27 no.9
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    • pp.816-823
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    • 2000
  • 상위단계 합성에서 데이터 저장을 위한 메모리 할당 문제는 중요하게 다루어지는 영역의 하나이다. 이 논문에서는, 다중포트(multiport)메모리 할당 문제에 대한 새로운 방법을 제안한다. 문제의 복잡도를 줄이기 위해, 기존의 연구들은 요약하면, 두 단계의 과정으로 이루어지고 있다. 첫 번째 단계에서는 변수들을 몇 개씩 묶어서 하나의 메모리를 형성한다. (즉 메모리 최적화 문제를 푼다.) 두 번째 단계에서는 메모리들과 기능모듈들 간의 연결선을 최적화시킨다. (즉, 연결선 최적화 문제를 푼다) 이 경우 심각한 단점은 연결선의 비용을 최소화하는 데는 한계가 있다는 것이다. 다시 말해, 연결선의 비중이 점점 중요하게 되어지는 설계 추세에서 기존의 방법은 다중포트 메모리 사용을 통해 얻을 수 있는 연결선 최소화를 극대화하는데 한계가 있음을 뜻한다. 이를 극복하기 위해, 우리는 새로운 할당 방법을 제시한다. 구체적으로 먼저, 연결선 최소화를 해결하고, 그 다음에, 메모리 최적화를 시도한다. 또한 제안한 알고리즘은 연결선 최소화 과정 동안 다음 단계에서 결정될 메모리 비용도 적절히 고려한다. 우리는 다양한 실험을 통해, 우리의 제안한 방법이 기존의 연구보다 상당히 효율적인 것임을 보인다.

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ON THE SCHULTZ POLYNOMIAL AND HOSOYA POLYNOMIAL OF CIRCUMCORONENE SERIES OF BENZENOID

  • Farahani, Mohammad Reza
    • Journal of applied mathematics & informatics
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    • v.31 no.5_6
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    • pp.595-608
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    • 2013
  • Let G = (V, E) be a simple connected graph. The sets of vertices and edges of G are denoted by V = V (G) and E = E(G), respectively. In such a simple molecular graph, vertices represent atoms and edges represent bonds. The distance between the vertices $u$ and $v$ in V (G) of graph G is the number of edges in a shortest path connecting them, we denote by $d(u,v)$. In graph theory, we have many invariant polynomials for a graph G. In this paper, we focus on the Schultz polynomial, Modified Schultz polynomial, Hosoya polynomial and their topological indices of a molecular graph circumcoronene series of benzenoid $H_k$ and specially third member from this family. $H_3$ is a basic member from the circumcoronene series of benzenoid and its conclusions are base calculations for the Schultz polynomial and Hosoya polynomial of the circumcoronene series of benzenoid $H_k$ ($k{\geq}3$).