• 제목/요약/키워드: Bond configuration

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配置와 形態에 關한 分子軌道論的 硏究 (第1報). Methyl Benzamidoxime의 配置와 形態 (MO Studies of Configuration and Conformation (Ⅰ). Configuration and Conformation of Methyl Benzamidoxime)

  • 김시준;이익춘
    • 대한화학회지
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    • 제20권2호
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    • pp.111-117
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    • 1976
  • Methyl benzamidoxime의 C=N 결합에 의한 configuration 과 N-O 및 C-N 결합에 대한 conformation 에 관하여 확장 Huckel 분자궤도법 계산을 실시하였다. 계산 결과는 C-N 결합의 conformation이 sp-형이면 E-configuration이 Z-configuration보다 더 안정하다. ap-형이면 Z-configuration이 더 안정하다. C=N 결합의 configuration과 C-N 의 conformation이 같으면 N-O의 conformation이 ap-형인 것이 더 안정하다. 이 안정화 에너지의 대부분은 정전기적인 원자간에 힘에 기인하는 것임을 밝혔다.

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Molecular Orbital Calculation on the Conflguration of Hydroxyl Group in Hexagonal Hydroxyapatite

  • Chang, Myung-Chul
    • 한국세라믹학회지
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    • 제42권5호
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    • pp.304-307
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    • 2005
  • The possible configurations of hydroxyl group in hexagonal hydroxyapatite were identified through molecular orbital calculation. The molecular orbital interaction between O and H in hydroxyl column was analyzed using charge variation and Bond Overlap Population (BOP). We supposed 5 kinds of O-H bond configurations as cluster types of I, II, III, IV, and V. Mulliken's population analysis was applied to evaluate ionic charges of O, H, P, and Ca ions, and BOPs (Bond Overlap Populations) in order to discuss the bond strength change by the atomic arrangement. The stability of each O-H bond configuration was analyzed using bond overlap and ionic charge.

Thio and Nitrogen Analogues of Acronycine

  • Geewananda, Y.A.;Gunawardana, P.;Cordell, Geoffrey A.
    • Archives of Pharmacal Research
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    • 제18권3호
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    • pp.195-202
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    • 1995
  • The thio, thio acetyl, oxime, and several hydrazone and azine derivatives of the antitumor alkaloid acronycine (1) were prepared. NMR spectroscopy was used to study the configurations around the C=N double bond in these acronycine derivatives. In the hydrazones and azines of acronycine the N-N bond assumes a syn configuration to the $C_6-OCH_3$ group, while the NO bond in the oxime and the N-N bond in noracronycine hydrazone and azines assumes an anti configuration.

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Conjugated Oxime의 立體構造에 關한 硏究 (第2報). NMR에 依한 cis-2-Butenedialdioxime의 Configuration 및 水素結合에 對한 考察 (Structural Studies on Conjugated Oximes (II). Nuclear Magnetic Resonance spectral Analysis on the Configuration and Hydrogen Bond of cis-2-Butenedialdioxime in Solutions)

  • 홍영석;이학기
    • 대한화학회지
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    • 제19권4호
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    • pp.233-239
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    • 1975
  • 세개의 二重結合에 衣하여 conjugate된 비대칭화합물 cis-2-bitenedialdioxime의 두 oxime group의 configuration을 溶媒, 溫度 및 濃度의 影響에 대한 NMR 硏究로서 決定하였다. 溶液狀態에서의 이 化合物은 $-35^{circ}$$-95^{\circ}C$의 溫度條件下에서는 항상 "syn-syn" configuration으로 存在함을 알았다. 또한 이 化合物의 oxime group과 溶媒사이의 水素結合의 相對的强度와 溫度 및 濃度에 의 피리딘의 考察하고 몇가지 水素結合의 모델을 提示하였다. 特히 피리딘溶媒 속에서는 水素結合은 한 영향을 窒素가 갖고 있는 非共有電子雙에 衣해서 일어나지 않고, oxime 의 hydroxyl proton과 피리딘의 $\pi$軌道函數 사이에 形成되는 $\pi$-착물의 結果임을 알았다.

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3차원 납 접합부 형상을 이용한 표면실장기술의 적정 납량 결정 (Determination of Adequate Solder Volume using 3D Solder Joint Configuration in SMT)

  • 최동필;김성관;유중돈
    • Journal of Welding and Joining
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    • 제14권2호
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    • pp.71-78
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    • 1996
  • In order to rpovide proper SMT design criteria in a systematic way, a mathematical formulation has been developed to predict the configuration of the solder fillet formed between the gullwing type lead and rectangular pad. Effects of SMT design parameters such as the solder volume and pad dimension on the solder profile are investigated using the FEM that calculates the 3D configuration by minimizing the energy due to surface tension and gravity in the equilibrium state. Design criteria of QFP and SOP are illustrated by plotting the acceptable range of the solder volume with respect to the length and width ratios of the pad and lead. The results show that the acceptable design range increases with increase in the pad length and width. The pad length has more significant effects on design criteria compared with the pad width, and Bond number can be utilized to predict the joint quality.

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보 단부의 정착에 관한 트러스 모델 (Truss Model for Bar Development in Beam End Region)

  • 김대진;홍성걸
    • 한국콘크리트학회:학술대회논문집
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    • 한국콘크리트학회 1999년도 봄 학술발표회 논문집(I)
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    • pp.659-664
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    • 1999
  • The majority of published conclusions about structural configuration effects of bond strength were based on the observed performance of test specimens and their interpretations are mostly empirical and statistical. The empirical and statistical interpretation on bond strength have to be replaced by rational models based on simple, sound and verifiable mechanical principles. It is likely that such models also represent the key to a deeper understanding of some existing experimental data on bond strength. The presented truss model is capable of explaining failure modes involving bond slip that cannot be explained by current truss model.

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주기하중을 받는 보-기둥 접합부내 보주철근 부착 및 정착의 해석적 평가 (Analytical Evaluation of Beam-Bar Bond and Anchorage in Beam-column joints under Cyclic Loading)

  • 오수연;이주하;윤영수
    • 한국콘크리트학회:학술대회논문집
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    • 한국콘크리트학회 2004년도 춘계 학술발표회 제16권1호
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    • pp.510-513
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    • 2004
  • The objectives of this research are to evaluate the effect of the compressive strength of concrete, reinforcing bar size, spacing of column transverse bars related to the concrete confinement effects on anchorage bond strength and bond behavior of beam-column joints subjected to cyclic loading and to predict the bond behavior of beam-column joints according to the variables by Finite Element Analysis appling the interface element between concrete and reinforced bar surface in a three-dimensional configuration. This paper shows that to verify the results by three-dimensional nonlinear finite element analysis appling a interface element, the test results that were already conducted are compared with analytic results. The behavior of bond and anchorage of beam bar is expressed by a local bond stress-slip relationship and the failure mode of bond is predicted by principal stress contour.

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The Crystal Structure of One Natural Compound Cyclo-(1,10-Docandiamino-11,20-Docanedioic) Amide (1,12-Diazacyclodocosane-2,11-Dione)

  • Wei, Wan-Xing;Pan, Yuan-Jiang
    • Bulletin of the Korean Chemical Society
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    • 제23권11호
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    • pp.1527-1530
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    • 2002
  • 1,12-diazacyclodocosane-2,11-dione was first isolated from a plant Phyllanthus niruri Linn. Its structure has been determined by means of spectroscopy methods and X-ray crystallography. Two peptide groups in the big ring (lactam) are the main factors influencing intermolecular contacts. The hydrogen-bond interaction of these hydrophilic groups is observed in the crystal structure. Meanwhile, C-H···O hydrogen bonds in molecules contribute to the formation of the whole crystal. These two kinds of hydrogen-bond form six- member rings among molecules. This compound crystallizes in the triclinic space group P-1 with a= 9.588(1) $\AA$, b= $9.850(1)\AA$, c = $11.810(1)\AA$, $\alpha=$ 68.18(1)$^{\circ}C$ , $\beta=$ 84.98(1), $\gamma$ = 86.03(1)$^{\circ}C$ , V = $1030.66(17)\AA3$ , Z = 2. A disorder of five-member carbon chain in the whole ring is observed in the title compound. The bond angle 105.8(4) is determined for a extreme configuration C(14)-C(15)-C(16), and 117.7(10) for another extreme configuration C(14')-C(15')-C(16'). In this crystal, two molecules are tied each other by short intermolecular hydrogen bonds, the oxygen atom being tied by hydrogen bond to nitrogen atom of another two molecules. The NMR and IR spectral data coincides to the structure of the compound.

Steel - concrete bond potentials in self-compacting concrete mixes incorporating dolomite powder

  • Kamal, Mounir M.;Safan, Mohamed A.;Al-Gazzar, Mohamed A.
    • Advances in concrete construction
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    • 제1권4호
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    • pp.273-288
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    • 2013
  • The main objective of this research was to evaluate the potentials of self-compacting concrete (SCC) mixes to develop bond strength. The investigated mixes incorporated relatively high contents of dolomite powder replacing Portland cement. Either silica fume or fly ash was used along with the dolomite powder in some mixes. Seven mixes were proportioned and cast without vibration in long beams with 10 mm and 16 mm steel dowels fixed vertically along the flowing path. The beams were then broken into discrete test specimens. A push-put configuration was adopted for conducting the bond test. The variation of the ultimate bond strength along the flowing path for the different mixes was evaluated. The steel-concrete bond adequacy was evaluated based on normalized bond strength. The results showed that the bond strength was reduced due to Portland cement replacement with dolomite powder. The addition of either silica fume or fly ash positively hindered further degradation as the dolomite powder content increased. However, all SCC mixes containing up to 30% dolomite powder still yielded bond strengths that were adequate for design purpose. The test results demonstrated inconsistent normalized bond strength in the case of the larger diameter compared to the smaller one.