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Theoretical Studies on the Structure and Aromaticity of 1H-Indene and Mono-sila-1H-Indene (1H-Indene과 Mono-sila-1H-Indene의 구조와 방향족성에 대한 이론적 연구)

  • Ghiasi, Reza;Monnajemi, Majid
    • Journal of the Korean Chemical Society
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    • v.50 no.4
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    • pp.281-290
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    • 2006
  • The electronic structure and properties of the 1H-indene and mono-sila-1H-indene series have been investigated using basis set of 6-31G(d, p) and hybrid density functional theory. Basic measures of aromatic character derived from structure, molecular orbitals, a variety of magnetic criteria (magnetic isotropic and anisotropic susceptibilities) are considered. Energetic criteria suggest that In(Si7) enjoy conspicuous stabilization. However, by magnetic susceptibility isotropic this system are among the least aromatic of the family: Within their isomer series, In(Si4) is the most aromatic using this criteria. Natural bond orbital (NBO) analysis method was performed for the investigation of the relative stability and the nature of the 8-9 bonds in 1H-indene and mono-sila-1H-indene compounds. The results explained that how the p character of natural atomic hybrid orbital on X8 and X9 (central bond) is increased by the substitution of the C8 and C9 by Si. Actually, the results suggested that in these compounds, the X8-X9 bond lengths are closely controlled by the p character of these hybrid orbitals and also by the nature of C-Si bonds. The magnitude of the molecular stabilization energy associated to delocalization from X8-X9 and to * X8-X9 bond orbital were also quantitatively determined. Molecular orbital (MO) analysis further reveal that all structure has three delocalized MOs and two delocalized MOs and therefore exhibit the aromaticity.

Studies on the Estimation of Leaf Production in Mulberry Trees 1. Estimation of the leaf production by leaf area determination (상엽 수확고 측정에 관한 연구 - 제1보 엽면적에 의한 상엽량의 순서 -)

  • 한경수;장권열;안정준
    • Journal of Sericultural and Entomological Science
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    • v.8
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    • pp.11-25
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    • 1968
  • Various formulae for estimation of leaf production in mulberry trees were investigated and obtained. Four varieties of mulberry trees were used as the materials, and seven characters namely branch length. branch diameter, node number per branch, total branch weight, branch weight except leaves, leaf weight and leaf area, were studied. The formulae to estimate the leaf yield of mulberry trees are as follows: 1. Varietal differences were appeared in means, variances, standard devitations and standard errors of seven characters studied as shown in table 1. 2. Y$_1$=a$_1$X$_1$${\times}$P$_1$......(l) where Y$_1$ means yield per l0a by branch number and leaf weight determination. a$_1$.........leaf weight per branch. X$_1$.......branch number per plant. P$_1$........plant number per l0a. 3. Y$_2$=(a$_2$${\pm}$S. E.${\times}$X$_2$)+P$_1$.......(2) where Y$_2$ means leaf yield per l0a by branch length and leaf weight determination. a$_2$......leaf weight per meter of branch length. S. E. ......standard error. X$_2$....total branch length per plant. P$_1$........plant number per l0a as written above. 4. Y$_3$=(a$_3$${\pm}$S. E${\times}$X$_3$)${\times}$P$_1$.....(3) where Y$_3$ means of yield per l0a by branch diameter measurement. a$_3$.......leaf weight per 1cm of branch diameter. X$_3$......total branch diameter per plant. 5. Y$_4$=(a$_4$${\pm}$S. E.${\times}$X$_4$)P$_1$......(4) where Y$_4$ means leaf yield per 10a by node number determination. a$_4$.......leaf weight per node X$_4$.....total node number per plant. 6. Y$\sub$5/= {(a$\sub$5/${\pm}$S. E.${\times}$X$_2$)Kv}${\times}$P$_1$.......(5) where Y$\sub$5/ means leaf yield per l0a by branch length and leaf area measurement. a$\sub$5/......leaf area per 1 meter of branch length. K$\sub$v/......leaf weight per 100$\textrm{cm}^2$ of leaf area. 7. Y$\sub$6/={(X$_2$$\div$a$\sub$6/${\pm}$S. E.)}${\times}$K$\sub$v/${\times}$P$_1$......(6) where Y$\sub$6/ means leaf yield estimated by leaf area and branch length measurement. a$\sub$6/......branch length per l00$\textrm{cm}^2$ of leaf area. X$_2$, K$\sub$v/ and P$_1$ are written above. 8. Y$\sub$7/= {(a$\sub$7/${\pm}$S. E. ${\times}$X$_3$)}${\times}$K$\sub$v/${\times}$P$_1$.......(7) where Y$\sub$7/ means leaf yield estimates by branch diameter and leaf area measurement. a$\sub$7/......leaf area per lcm of branch diameter. X$_3$, K$\sub$v/ and P$_1$ are written above. 9. Y$\sub$8/= {(X$_3$$\div$a$\sub$8/${\pm}$S. E.)}${\times}$K$\sub$v/${\times}$P$_1$.......(8) where Y$\sub$8/ means leaf yield estimates by leaf area branch diameter. a$\sub$8/......branch diameter per l00$\textrm{cm}^2$ of leaf area. X$_3$, K$\sub$v/, P$_1$ are written above. 10. Y$\sub$9/= {(a$\sub$9/${\pm}$S. E.${\times}$X$_4$)${\times}$K$\sub$v/}${\times}$P$_1$......(9) where Y$\sub$7/ means leaf yield estimates by node number and leaf measurement. a$\sub$9/......leaf area per node of branch. X$_4$, K$\sub$v/, P$_1$ are written above. 11. Y$\sub$10/= {(X$_4$$\div$a$\sub$10/$\div$S. E.)${\times}$K$\sub$v/}${\times}$P$_1$.......(10) where Y$\sub$10/ means leaf yield estimates by leaf area and node number determination. a$\sub$10/.....node number per l00$\textrm{cm}^2$ of leaf area. X$_4$, K$\sub$v/, P$_1$ are written above. Among many estimation methods. estimation method by the branch is the better than the methods by the measurement of node number and branch diameter. Estimation method, by branch length and leaf area determination, by formulae (6), could be the best method to determine the leaf yield of mulberry trees without destroying the leaves and without weighting the leaves of mulberry trees.

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The Study for the Reconstruction of two objects using the Stereo X-ray Inspection System (스테레오 X-선 검색장치를 이용한 이중물체 형상복원 연구)

  • Hwang, Young-Gwan;Lee, Nam-Ho;Park, Jong-Won
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.13 no.9
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    • pp.4152-4158
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    • 2012
  • The Stereo X-ray inspection system is designed for effectively providing the additional information of objects than the conventional inspection system that offers only 2D cross-section of objects. We studied the geometric improvement of the stereo X-ray inspection system, the stereo matching algorithm of the single object using the edge and the volume reconstruction method for the inspected object. In this paper, we conduct a matching algorithm to find the correspondences between the images and reconstruct 3-D shapes of real objects using the stereo X-ray images. Also, we apply a new 3D reconstruction algorithm for the discrimination of two objects. For the separation of the overlapping objects, we calculate the vector of the object and divide inner and outer voxel of objects. And for the elimination of the overlapping area, we study the reconstruct 3D shapes using the threshold based Z-axis. The experimental results show that the proposed technique can enhance the accuracy of stereo matching and give more efficient visualization for overlap objects in the restricted environment.

Synthesis and Properties of Noel Platinum(IV) Complexes Involving Asymmetric Chiral Diamines as Carrier Ligands

  • 이은주;전무진;손윤수
    • Bulletin of the Korean Chemical Society
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    • v.20 no.11
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    • pp.1295-1298
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    • 1999
  • Novel platinum(IV) complexes with asymmetric chiral diamine ligands cis,cis,trans-A2PtCl2(X)2 (X = OH, OCOCH3, OCOC2H5, A2 =NH2CH(CH3)CH2NH(c-C6H11)(apcha), NH2CH(CH3)CH2NH(c-C5H9)(apcpa)) have been prepared. One of the platinum(IV) complexes, (apcpa)PtCl2(OCOC2H5)2(6), was subjected to X-ray crystallographic analysis. The crystal structure of (apcpa)PtCl2(OCOC2H5)2 (monoclinic, P21 (No. 4), a = 9.1391(1), b = 22.2517(1), c = 10.0687(1)Å, β= 109.105(1)。 , V = 1934.80(3)Å3 , Z = 4, R1 = 0.0532) exhibits that the platinum atom achieves a typical octahedral arrangement with two nitrogen atoms in cis positions and two carboxylato group in trans positions. The spectroscopic data disclose that these platinum(IV) complexes are stable and their molecular structures are retained in aqueous solution. The title complexes are highly cytotoxic in vitro but do not exhibit oral anticancer activity in vivo.

Crystal Structure Analysis of Uranium Oxides (산화우라늄의 결정구조 분석)

  • 김정석;최용남;이창희;김시향;이영우
    • Journal of the Korean Ceramic Society
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    • v.38 no.11
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    • pp.967-972
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    • 2001
  • The crystal and defect structures of U $O_{x}$(x=2.0, 2.03, 2.14, 2.19, 2.20 and 2.26) were analysed by rietveld refinement and the results were compared to the U-O phase diagram. Neutron diffraction data were collected in the temperature range of RT~100$0^{\circ}C$. The specimens of x=2.14, 2.19, and 2.20 consisted of two phase: $UO_{2+x}$(Fm3m, a≒5.4$\AA$) and $U_4$$O_{9}$(I43d, a≒21.8$\AA$). The proportion of the $UO_{2+x}$(Fm3m) phase increased with increasing the temperature. The variation of the proportion of the two phases with temperature in the U $O_{2.2}$ and U $O_{2.18}$ samples showed some deviation from the expected values from the phase diagram especially at the high temperature range. The phase transitions ${\gamma}$longrightarrow$\beta$longrightarrow$\alpha$ of $U_4$$O_{9}$ were discussed in relation with the phase separation.eparation.ion.

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Two Crystal Structures of Dehydrated Ag$^+$ and K$^+$Exchanged Zeolite A, $Ag_{12-x}K_x$-A, x = 1.3 and 2.7

  • Kim, Yang;Song, Seong-Hwan;Park, Jong-Yul;Kim, Un-Sik
    • Bulletin of the Korean Chemical Society
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    • v.9 no.6
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    • pp.338-341
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    • 1988
  • Two crystal structures of fully dehydrated silver and potassium exchanged zeolite A, stoichiometries of $Ag_{9.3}K_{{2.7}^-}A$ (${\alpha}$ = 12.282(2) ${\AA}$) and $Ag_{10.7}K_{{1.3}^-}{\AA}$ (${\alpha}$ = 12.287(2) A) per unit cell, have been determined from 3-dimensional x-ray diffraction data gathered by counter methods. All structures were solved and refined in the cubic space group Pm3m at 21(1)$^{\circ}C$ . The crystals of $Ag_{9.3}K_{{2.7}^-}A$ and $Ag_{10.7}K_{{1.3}^-}A$ were prepared by flow method using exchange solutions in which mole ratios of $AgNO_3$ and $KNO_3$ were 1:10 and 1:5, respectively, with total concentration of 0.05M. The structures of the dehydrated $Ag_{9.3}K_{{2.7}^-}A$ and $Ag_{10.7}K_{{1.3}^-}A$ were refined to yield the final error indices $R_1$ = 0.037 and $R_2$ = 0.040 with 321 reflections, and $R_1$ = 0.042 and $R_2$ = 0.043 with 371 reflections, repectively, for which I > 3${\sigma}$(I). In both structures, eight $Ag^+$ ions are found nearly at 6-ring centers and each $Ag^+$ ion is nearly in the (1 1 1) plane at its O(3) ligands. The 8-ring sites are preferentially occupied by $K^+$ ions in both structures. 1.3 and 1.7 reduced silver atoms per unit cell were found inside of sodalite units of $Ag_{9.3}K_{{2.7}^-}A$ and that of $Ag_{10.7}K_{{1.3}^-}A$, respectively. These reduced silver species were presumably formed from the reduction of $Ag^+$ ions by oxide ions of residual water molecule or of the zeolite framework. These two crystals may be presented as hexasilver cluster in 21.7% and 28.3% of sodalite unit cells for $Ag_{9.3}K_{{2.7}^-}A$ and $Ag_{10.7}K_{{1.3}^-}A$, repectively.

Optical and Optoelectric Properties of PbCdS Ternary Thin Films Deposited by CBD

  • Mohammed, Modaffer. A.;Mousa, Ali M.;Ponpon, J.P.
    • JSTS:Journal of Semiconductor Technology and Science
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    • v.9 no.2
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    • pp.117-123
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    • 2009
  • $Pb_{x}Cd_{1-x}S$ films are prepared in the composition range of 0.05${\leq}x{\leq}$0.25, using a chemical bath deposition growth technique under optimum conditions amide at realizing good photo response. The x-ray diffraction results show that the films are of PbS-CdS composite with individual CdS and PbS planes. The films exhibit two direct band gaps, 2.4 eV attributed to CdS, while the other varies continuously from 2.4 eV to 1.3 eV. The films surface morphology is smooth with crystallite, whose grain size increases with increasing mole fraction (x). The decrease in band gap with increase in lead concentration suggests inter-metallic compound of PbS (Eg=0.41 eV) with CdS (Eg=2.4 eV)

Dual Polarized Array Antenna for S/X Band Active Phased Array Radar Application

  • Han, Min-Seok;Kim, Ju-Man;Park, Dae-Sung;Kim, Hyoung-Joo;Choi, Jae-Hoon
    • Journal of electromagnetic engineering and science
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    • v.10 no.4
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    • pp.309-315
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    • 2010
  • A dual-band dual-polarized microstrip antenna array for an advanced multi-function radio function concept (AMRFC) radar application operating at S and X-bands is proposed. Two stacked planar arrays with three different thin substrates (RT/Duroid 5880 substrates with $\varepsilon_r$=2.2 and three different thicknesses of 0.253 mm, 0.508 mm and 0.762 mm) are integrated to provide simultaneous operation at S band (3~3.3 GHz) and X band (9~11 GHz). To allow similar scan ranges for both bands, the S-band elements are selected as perforated patches to enable the placement of the X-band elements within them. Square patches are used as the radiating elements for the X-band. Good agreement exists between the simulated and the measured results. The measured impedance bandwidth (VSWR$\leq$2) of the prototype array reaches 9.5 % and 25 % for the S- and X-bands, respectively. The measured isolation between the two orthogonal polarizations for both bands is better than 15 dB. The measured cross-polarization level is ${\leq}-21$ dB for the S-band and ${\leq}-20$ dB for the X-band.

Binding Energy in the n-type Al2Gax-1A3-GaAs Quantum well according to the Trial function (Al2Gax-1A3-GaAs 양자우물에서 시도함수에 따른 결합에너지)

  • Lee, Kun-Young;Lee, Mu-Sang;Chun, Sang-Kook
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.18 no.9
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    • pp.781-786
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    • 2005
  • The binding energy in the n-type $GaAs/Al_xGa_{1-x}As$ quantum well is calculated. The shooting method, modified from the finite difference method, is used for the calculation of the subband energy level and its wave function. In order to account tot the change of the potential energy due to the charged particles, impurities and electrons, the self consistent method is employed. The wave function used for the calculation of the binding energy is assumed to be composed of the envelope function and hydrogenic 1s function. Then, the binding energies calculated by taking into account lot two different types of the hydrogenic 1s function are compared.

Studies on the Early Growth of Rockfish, Sebastes schlegeli (조피볼락, Sebastes schlegeli의 초기성장에 관한 연구)

  • Hyun Choung-Hun;Rho Sum
    • Journal of Aquaculture
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    • v.9 no.1
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    • pp.25-42
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    • 1996
  • The study has been conducted to know an appropriate feeding strategy and effects of the rearing density on larval growth of the rockfish, Sebastes schlegeli. The results obtained are as fellowed ; 1. Thirty-day-old larvae reached at $25.25{\pm}3.76$ mm in total length and $0.23{\pm}0.07$ g in body weight in experiment A, at which rotifer was provided from the beginning to the end of 30-day experiment, Anemia from 3th to 18th day, and artificial feed from 13th to 30th day after hatching. When rotifer was provided for 30 days, Artemia from 6th to 18th day, and artificial feed from 18th to 30th day after hatching (experiment B), these larvae grew up to $27.52{\pm}2.50$ mm in total length and $0.26{\pm}0.06$ g in body weight. On the other hand, when rotifer and artificial feed were supplied with the same time schedule as shown in experiment B, and Artemia was feed from 6th to 30th day after hatching (experiment C), the total length and body weight of those larvae were $23.22{\pm}3.44$ mm and $0.15{\pm}0.05$ g, respectively. The best result for larval growth was obtained from experiment B. The survival rates estimated were $57.6\%$ in experiment A, $66.4\%$ in experiment B, and $44.4\%$ in experiment C. 2. The growth in total length of the larvae according to their rearing days could be represented by the following equations : Experiment A : Y=4.350+0.116X+$1.887X^2$ (r=0.993) Experiment B : Y=4.500+8.931X+$2.221X^2$ (r=0.994) Experiment C : Y=4.478+5.734X+$1.881X^2$(r=0.990) The average number of Artemia nauplius intaken by the larvae was rapidly increased between 15th and 20th day afer hatching, and 9, 212, 242, 750, and 1,171 nauplius were found in the different sizes of larvae, whose total length were 5.65, 6.81, 9.45, 14.96, and 24.52 mm, respectively. 3. Larval growth in total length and body weight reared at four different densites (A: 1.8 $kg/m^3$, B; 4.0 $kg/m^3$, C; 5.0 $kg/m^3$, D; 6.2 $kg/m^3$) indicated that the best growth was found in experiment A, at which the larval were reared at the lower density and the final survival rates extimated were $92.9\%$ in exp. A, $99.5\%$ in exp. C, $89.0\%$ in exp. B, and $88.2\%$ in exp. D. The amount of production per cubic meter turned out to be 30.45 kg in exp. D, 25.89 kg in exp. C, 20.75 kg in exp. B and 10.48 kg in exp. A. therefore, considering both larval growth and survival rate, higher yields seemed to be attainable at the relatively high-rearing density.

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