• Title/Summary/Keyword: Somo

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MO Studies on the Reaction of t-Butoxyl, t-Butyl Radical with Substituted-Toluenes (t-Butoxyl, t-Butyl 라디칼에 의한 치환체-톨루엔의 수소 추출반응에 대한 분자궤도론적 연구)

  • Young Gu Cheun;Mi Sook Hwang;Ikchoon Lee
    • Journal of the Korean Chemical Society
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    • v.27 no.6
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    • pp.391-398
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    • 1983
  • The reaction for the hydrogen abstraction from substituted-toluenes by t-butoxyl and t-butyl radical have been studied MO theoretically using CNDO/2 method. The reaction for the abstraction from substituted-toluenes by t-butoxyl radical showed the negative ${\rho}$ values from Hammett equation, since t-butoxyl radial is electrophilic, relatively low energy SOMO, which can interact with HOMO energy of substituted-toluens. On the other hand, t-butyl radical is nucleophilic, relatively high energy SOMO, which can interact with LUMO energy of substituted-toluenes. And so the reaction of abstraction from substituted-toluenes by t-butyl radical exhibited positive ${\rho}$ values.

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A Methodology for Ontology-based Service Drawing for SOA (SOA를 위한 온톨로지 기반의 서비스 도출 방법론)

  • Jang, Ryo-Sun;Park, Sei-Kwon;Ryu, Seung-Wan;Shin, Dong-Cheon
    • Journal of Information Technology Services
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    • v.10 no.2
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    • pp.309-327
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    • 2011
  • Even though several methodologies for SOA(Service Oriented Architecture) have been proposed, in practical aspects most of them have some problems since they fail to propose specific policies in definition and identification of a service. This paper proposes a service modeling methodology. SOMO(Service Oriented Modeling using Ontology), which draws proper services in the process of defining and identifying services. SOMO defines a service ontology based on service definition and characteristics in SOA. The service drawing process consists of 3 steps : requirement analysis, service identification, and service definition. SOMO is expected to increase the degree of reuse and facilitates the definition and search of services by using service ontology. In addition, it clearly allows the definition and identification of services, satisfying the user requirements.

A Study on the Mongolian Male Headgear - focused on Jip-Sah - (몽골인의 남자 관모에 관한 연구 - "집사(集史)"를 중심으로 -)

  • Kim, Mi-Ja
    • Journal of the Korean Home Economics Association
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    • v.44 no.1 s.215
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    • pp.151-157
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    • 2006
  • Ten types of male headgear-Kwonwoonkwan, crown-like headgear, hats with a square flap, hats with feathers, crowns with plumes, Ballip, hats with flat crowns, Somo, turban, and fur hats-were described in Jip-Sah, which was published in the 14th century. Mongolian people used summer headgear, winter hats, and crown ornaments, which had been used until the Ch'ing dynasty of China. From the late 12th century to 1304, the headgear styles remained the same, suggesting that the Mongolian people kept their tradition. Kwonwoonkwan, crown-like headgear, and Somo, presented in Jip-Sah, were also described in U. Yadamsuren's album, a pictorial depiction of the 20th century Mongolian headgear.

Reactions of Acetyl Radical with Acetylene - A Computational Study

  • Tran, Tu Anh;Schiesser, Carl H.
    • Bulletin of the Korean Chemical Society
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    • v.31 no.3
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    • pp.595-598
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    • 2010
  • Ab initio and DFT molecular orbital calculations predict that acetyl radical reacts with acetylene through interactions primarily involving the SOMO of the radical and the in-plane ${\pi}$-bond of acetylene. An energy barrier (${\Delta}E_1$) of 39.6 kJ $mol^{-1}$ is predicted for the preferred anti arrangement of reactants at the CCSD(T)/cc-pVDZ//BHandHLYP/cc-pVDZ level of theory. NBO analysis reveals additional interactions between the radical SOMO and the nearby C-H ${\sigma}$-bond in acetylene worth about 10% of the total transition state interaction energy. This type of orbital interaction has not previously been observed in radical addition reactions involving C-C ${\pi}$-bonds.

Density Functional Theory Studies on the Electrophilic versus Electron Transfer Mechanisms of Aryl Vinyl Ethers

  • 김왕기;손창국;임선희;이순기;김창곤;이익춘
    • Bulletin of the Korean Chemical Society
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    • v.20 no.10
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    • pp.1177-1180
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    • 1999
  • The ab initio SCF MO and density functional theory (DFT) studies are carried out on the electrophilic (1a) and electron transfer (1b) addition reactions to the vinyl double bond of aryl vinyl sulfides and ethers. In the electrophilic addition processes, a double bond shift from C3 = C4 to X = C3 occurs with occupation number (1.97) close to the normal two. Due to this shift direct conjugation between the cationic center, X = S or O, and the para electron-donor substituent becomes impossible so that the reaction energies (or log K) are correlated with σ rather than σ+. By contrast, radical cation formation leads to delocalization of the SOMO, a lone-pair πorbital on X, with four major resonance structures in which cationic charge as well as spin density is delocalized over C4 , X and C7 atoms. As a result, partial πbonds are formed over C1 -X and C3 - C4 with occupation numbers (0.82) lower than one. In two of the cannonical structures, III(Ⅹ) and III(X+), direct conjugation between the cationic center, X, and the para substituent is achieved so that a better correlation with σ+ rather than σis obtained. The SCF MO energies at the HF/3-21G* and HF/6-31G* levels lead to very much inferior Hammett correlations in the σ/ σ+ diagnostic criterion. In contrast, the ρvalues evaluated with the DFT energies can give reliable diagnostic distinction between the two addition mechanisms.

System Design and Performance Analysis of 3D Imaging Laser Radar for the Mapping Purpose (맵핑용 3차원 영상 레이저 레이다의 시스템 설계 및 성능 분석)

  • La, Jongpil;Ko, Jinsin;Lee, Changjae
    • Journal of the Korea Institute of Military Science and Technology
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    • v.17 no.1
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    • pp.90-95
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    • 2014
  • The system design and the system performance analysis of 3D imaging laser radar system for the mapping purpose is addressed in this article. For the mapping, a push-bloom scanning method is utilized. The pulsed fiber laser with high pulse energy and high pulse repetition rate is used for the light source of laser radar system. The high sensitive linear mode InGaAs avalanche photo-diode is used for the laser receiver module. The time-of-flight of laser pulse from the laser to the receiver is calculated by using high speed FPGA based signal processing board. To reduce the walk error of laser pulse regardless of the intensity differences between pulses, the time of flight is measured from peak to peak of laser pulses. To get 3D image with a single pixel detector, Risley scanner which stirs the laser beam in an ellipsoidal pattern is used. The system laser energy budget characteristics is modeled using LADAR equation, from which the system performances such as the pulse detection probability, false alarm and etc. are analyzed and predicted. The test results of the system performances are acquired and compared with the predicted system performance. According to test results, all the system requirements are satisfied. The 3D image which was acquired by using the laser radar system is also presented in this article.