• Korean Journal of Crystallography
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• v.13 no.1
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• pp.21-24
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• 2002

The crystal structure of cholesteryl crotonate was investigated by X-ray diffraction. Crystallo-graphic data for the title compound: P2₁, a = 13.446(4) , b = 11.802(3) , c = 18.782(5) , β = 103.99(2)°, Z = 4. Reflections were collected with an Enraf-Nonius CAD-4 diffractometer equipped with a graphite monochromator. The structure was solved by direct methods and refined by least-squares analyses. The final R value was 0.092 for 1604 reflections. The cholesterol fragment of the title compound were in good agreement with those for related cholesterol derivatives. The molecules were stacked in clearly separated layers. At the center of the layers, there were cholesterol-cholesteryl interactions between the symmetry-related A molecules and the cholesteryl-C(17) side chain of B molecules. There were also interactions between the C(17) side chain of A molecules and the crotonate chains off and B molecules in the interface region between layers. The crystal structure of the title compound turned out to be isostructural with those of cholesteryl ethylcarbonate, cholesteryl propylcarbonate, and cholesterol crotylcarbonate. The crystals show the liquid crystalline state having the cholesteric phase.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2009.06a
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• pp.117-117
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• 2009

최근 고집적화 구조는 저항(resistance)과 정전용량 (capacitance)에 의한 신호 지연 (RC delay) 증가로 인한 혼선 (cross-talk noise)과 전력소모 (power dissipation)등의 문제를 발생시킨다. 칩 성능에 영향을 미치는 제한인자를 최소화하기 위해서는 저저항 배선 금속과 저유전상수 (low-k)의 층간 절연막 (IMD, intermetal dielectric) 물질이 필요하다. 최근 PECVD (plasma enhanced chemical vapor deposition)를 이용하여 증착시킨 유기살리케이트 (OSG, organosilicate glass)는 가장 유망한 저유전상수 물질로 각광받고 있다. 본 연구에서는 제일원리 연구를 통하여 OSG의 전구체 중에 하나인 DEMS 문자를 모델링하고, 에너지적으로 가장 안정한 구조를 찾아서 각 원자 간의 결합에 따른 해리에너지 (dissociation energy)를 계산하고, DEMS가 H-terminated Si 표면과 반응하는 기구에 대해 고찰하였다. 최적화된 DEMS 분자의 구조를 찾았고 DEMS 분자가 결합이 깨져 조각 분자군으로 될 때의 에너지들을 계산하였다. 계산된 해리에너지로부터 DEMS 분자의 O 원자와 C분자의 결합이 깨져서 $C_2H_5$를 조각 분자군으로 생성할 확률이 총 8가지의 경우에서 가장 높다는 것을 알 수 있었다. 8 가지의 해리된 DEMS 조각 분자군들이 H-terminated Si 표면과 반응할 때의 반응에너지를 계산한 결과 표면의 Si 원자와 DEMS 분자에서 $C_2H_5$가 해리되어 생성된 조각 분자군의 O 원자가 결합을 하고 부산물로 $C_2H_6$를 생성하는 반응이 가장 선호된다는 것을 알 수 있었다. DEMS 분자로 증착시킨 OSG에 대하여 제일원리법을 이용하여 계산한 연구는 보고된 바 없기 때문에, DEMS 분자의 각 원자 간의 해리에너지와 Si 기판과의 반응에너지는 추후 연구개발의 중요한 기초 자료가 될 수 있다.

• Korean Journal of Food Science and Technology
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• v.27 no.6
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• pp.1028-1034
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• 1995

Acid-modified and cross-linked chestnut starch properties and their gel properties were examined. Hardness and cohesiveness of acid-modified starch gels were all reduced as acid treatment time was increased. And hardness of crossed-linked starch gels were increased but cohesiveness were not significantly different. Reduction rate of transmittance in acid-modified starch suspensions were higher than that of unmodified starch suspension. Hardness changes of cross-linked starch gels during 4 days of storage were little, especially in the gels made at $75^{\circ}C\;and\;85^{\circ}C$ of heating temperatures.

• Journal of the Korean Chemical Society
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• v.29 no.2
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• pp.73-79
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• 1985

The crystal and molecular structure of acetone 4-benzylthiosemicarbazone, $C_{11}H_{15}N_3S$, has been determined by the single crystal X-ray diffraction methods. The crystals are monoclinic, space group $P2_1/c$ with unit cell dimensions, a = 10.249(7), b = 11.403(9), c = 10.149(7)TEX>${\AA}$, ${\beta}$ = 90.9$(1)^0$ and z = 4. The intensities were collected on an automatic four-circle diffractometer with graphite-monochromated Mo-$K_{\alpha}$ radiation. The structure was solved by direct methods and refined by full matrix least-squares methods. The final R was 0.045 for 1554 observed reflections. S-C(8)-N(2)-N(3)-C(9)-C(10) atoms make a zigzag planar chain. There are no unusual bond lengths and angles. There are two independent hydrogen bonds in the crystal structure. One is N-H${\cdots}$S intermolecular hydrogen bond with the length of 3.555${\AA}$ and makes dimer-like units. The other is N-H${\cdots}$N intramolecular hydrogen bond with the length of 2.568${\AA}$. The structure was compared with those of other thiosemicarbazone derivatives.

• The tire
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• s.48
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• pp.3-6
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• 1973

• The tire
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• s.49
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• pp.4-8
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• 1973

• Analytical Science and Technology
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• v.26 no.1
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• pp.51-60
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• 2013

The geometrical parameters, vibrational frequencies, and adiabatic electron affinities (AEAs) for c-$C_nF_{2n}$ (n=8, 9) and $C_{10}F_{18}$ (perfluorodecalin) have been investigated using various quantum mechanical techniques. The possible structures for the neutrals and anions of c-PFA are fully optimized and electron affinities are predicted using energy difference between the neutral and anion. The harmonic vibrational frequencies are also determined and zero-point vibrational energies (ZPVEs) are considered for the better prediction of the electron affinities. The electron affinities are predicted to be 1.18 eV for c-$C_8F_{16}$ (ortho), 1.37 eV for c-$C_9F_{18}$, and 1.38 eV for $C_{10}F_{18}$ (perfluorodecalin) at the MP2 level of theory after ZPVE correction.

• Korean Journal of Food Science and Technology
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• v.27 no.5
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• pp.757-761
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• 1995

The relationship between the molecular structure of rice starch and the texture of cooked rice was investigated using hot-water soluble rice starch. The structure of hot-water soluble starch bound amylose which was composed of small molecular weight and amylopectin which was composed of chain length of $\overline{DP}\;10{\sim}20$, and the average composition of amylose : amylopectin was 7 : 3. The molecular weight of amylose was the smaller and super long chain of amylopectin was the fewer, the extractable ratio of hot-water soluble rice starch was the higher. And hot-water solubility of rice starch be responsible for molecular structure of starch. On the texture of cooked rice, the extractable ratio of hot-water soluble rice starch was the higher, the hardness was the lower and the adhesiveness was the higher. The results suggest that the molecular structure of rice starch could be responsible for the texture of cooked rice.

• Korean Journal of Food Science and Technology
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• v.27 no.1
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• pp.105-111
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• 1995

The relationship betwwen the molecular structure of amylopectin and the texture of cooked rice was investigated using Korean rice [3 varieties of Japonica type and 3 varieties of Tongil type(Japonica-Indica breeding type)]. The molecular structure of rice amylopectin was polymodal and distributed A chain of $\overline{DP}$ 12.4, short B chain of $\overline{DP}$ 20.6, B chain of $\overline{DP}$ 26.3, long B chain of $\overline{DP}$ 45 and super long chain of above $\overline{DP}$ 55. The super long chain of amylopectin was composed of long linear chain with poorly branched chain. Also, the super long chain of amylopectin showed positive correlated with average chain length, inherent viscosity and ${\beta}-amyloysis$ limit$({\%})$, but negative correlated with ${\lambda}max$ of iodine reaction of amylopectin. The structural properties of amylopectin in Japonica type were different from those of amylopectin in Tongil type. In relationship between molecular structure of amylopectin and texture of cooked rice, the average chain length, inherent viscosity, ${\beta}-amyloysis$ limit and super long chain of amylopectin was showed a positive correlation with hardness, but a negative correlation with adhesiveness of cooked rice. The long chain of rice amylopectin is the less, the eating quality of cooled rice was the better. These results suggest that the molecular structure of rice amylopectin could be responsible for the texture of cooked rice.

• Proceedings of the Korean Vacuum Society Conference
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• 2016.02a
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• pp.275.1-275.1
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• 2016

반전형 폴리머 태양전지는 그 구조에 의하여 훌륭한 안정성을 가질 뿐만 아니라 roll-to-roll 공정을 통한 대량생산이 가능하여 각광받고 있는 구조이다. 이런 반전형 구조에서, 금속 산화물 나노파티클에 의해 만들어지는 금속 산화물 층은 전자수송층으로서 사용된다. 이 연구에서는 표면개질 물질인 PEIE (Polyethyleneimine-ethoxylate)와 화학적으로 기능화된 산화아연/그래핀 핵/껍질 양자점을 이용하여 전기수송층의 역할을 하는 기능화된 산화아연/그래핀 단분자층을 가지는 태양전지를 제작하였다. 이는 기능화된 산화아연/그래핀 단분자층이 표면개질, 광센서, 전기수송층의 역할을 동시에 수행하는 효과로 인해 제작된 태양전지는 향상된 전자 수집능력을 보였다. 단분자층이 잘 형성되어 있는지 확인하기 위하여 집속 이온 빔 장비를 이용하여 태양전지의 내부 구조를 확인하였으며, density functional theory (DFT)을 이용한 모델링을 통하여 기능화된 산화아연/그래핀 양자점의 전자상태밀도를 분석하였다. 기능화된 산화아연 단분자층에 의한 효과적인 계면 제어 및 전하수송에 의해 약 10.3%의 높은 효율을 가지는 반전형 폴리머 태양전지를 제작할 수 있었다.