• 대한전기학회논문지:시스템및제어부문D
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• 제55권7호
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• pp.313-318
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• 2006

An automatic sample centering system is underway at the protein crystallography beam line of the Pohang Light Source to improve the efficiency of the crystal screening process. A sample pin which contains a protein crystal is mounted on a goniometer head. Then the crystal should be moved to the center of X-ray beam by controlling the motorized goniometer to obtain diffraction data. Since the X-ray beam is located at the center of the image obtained from the CCD camera when the image of the sample pin is in focus, an auto-focusing algorithm is a very important part in the auto-sample-centering system. However the results of applying several well-known auto focusing algorithms directly to the images are not satisfactory owing to the following factors: misalignment of CCD camera, non-uniform cryo-stream in the background of the image and the supporter of the loop. The performance of an auto-focusing algorithm can be increased if the algorithm is applied to only the loop region identified. Non-uniform cryo-stream and a various illumination condition and a stain, which is shown in the image, are main obstacles to loop region identification. In this paper, a simple loop region identification algorithm, which can solve these problems, is proposed and the effective ness of the proposed scheme is shown by applying the auto-focusing algorithm to the loop region identified.

• Bulletin of the Korean Chemical Society
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• 제34권10호
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• pp.3093-3097
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• 2013

The synthesis, X-ray crystallography, spectroscopic (IR, UV-vis), and electrochemical properties of the title compound, $[H_3O][Cr(dipic)_2][H_3O^+.Cl^-]$ (1), ($H_2dipic$ = 2,6-pyridinedicarboxylic acid), are reported. This complex crystallizes in the monoclinic space group Cc with a = 14.9006(10) ${\AA}$, b = 12.2114(8) ${\AA}$, c = 8.6337(6) ${\AA}$, ${\alpha}=90.00^{\circ}$, ${\beta}=92.7460(10)^{\circ}$, ${\gamma}=90.00^{\circ}$, and V = 1569.16(18) ${\AA}^3$ with Z = 4. The hydrogen bonding and noncovalent interactions play roles in the stabilization of the structure. In order to gain a better understanding of the most important geometrical parameters in the structure of the complex, atoms in molecules (AIM) method at B3LYP/6-31G level of theory has been employed.

• Advances in nano research
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• 제1권3호
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• pp.133-151
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• 2013

The availability of advanced nanotechnological methodologies (experimental and theoretical) has widened the investigation of biological/organic matter in interaction with substrates. Minerals are good candidates as substrates because they may present a wide variety of physico-chemical properties and surface nanostructures that can be used to actively condense and manipulate the biomolecules. Scanning Probe Microscopy (SPM) is one of the best suited techniques used to investigate at a single molecule level the surface interactions. In addition, the recent availability of high performance computing has increased the possibility to study quantum mechanically the interaction phenomena extending the number of atoms involved in the simulation. In the present paper, firstly we will briefly introduce new SPM technological developments and applications to investigate mineral surfaces and mineral-biomolecule interaction, then we will present results on the specific RNA-mineral interaction and recent basics and applicative achievements in the field of the interactions between other fundamental biological molecules and mineral surfaces from both an experimental and theoretical point of view.

• 한국결정학회지
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• 제6권1호
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• pp.49-55
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• 1995

HVPE(Halide Vapour Phase Epitaxy) 법에 의하여 육방정계 질화갈륨(GaN) 단결정막의 (0001)면에 섬모양으로 배향된 입방정계 β-GaN상과 육방정계 α-GaN상 사이의 상호 배향은 [110](111) β-GaN//[1120](001) α-GaN 관계를 갖는 것으로 관찰되었다. 삼각섬 모양을 β-GaN는 막표면에 평행인 (111)면에 대한 쌍정위치를 점하고 있었다. 광발광(PL) 및 국소부위 음극선 발광(CL)을 측정하여 β-GaN의 금제대폭값은 실온에서 3.18±0.30eV로 얻어졌다.

• Applied Microscopy
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• 제34권4호
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• pp.255-264
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• 2004

무기결정질인 $SmZn_{0.67}Sb_2$의 3차원적 구조 (공간군 P4/nmm, $a=4.26{\AA},\;c=10.37{\AA}$)를 전자결정학을 이용하여 분석하였다. 3차원적 정보를 얻기 위해서 주요 정대축인 세 방향의 고분해능 이미지의 정보와 16개의 정대축 방향의 회절도형을 조합하였다. 고분해능 이미지의 결정학적 화상처리(CIP)를 결정구조의 보다 정확한 분석을 위하여 사용하였다. 전자결정학을 이용한 분석 결과, [001], [100], [110] 방향에 대한 고분해능 이미지의 ${\Phi}_{res}$는 각각 $17.0^{\circ},\;8.3^{\circ},\;21.9^{\circ}$를 나타내었다. 전자결정학을 이용한 구조 분석 결과에 대한 정확도를 비교하기 위하여 X-ray 회절 분석을 시도하였다. $SmZn_{0.67}Sb_2$의 X-ray 구조 분석 결과, $a=4.276{\AA},\;c=10.287{\AA}$이고 신뢰도($R_{sym}$)는 4.16% 이었다.

• 한국결정학회지
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• 제11권1호
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• pp.6-9
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• 2000

• 한국결정학회지
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• 제11권4호
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• pp.241-246
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• 2000

Structure factor는 위치를 포함한 electron density를 알면 계산되고 역으로 electron density는 phase를 포함한 structure factor를 알면 작도할수 있으므로 structure factor와 electron density는 서로 Fourier transform이다.

• 대한치과보철학회:학술대회논문집
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• 대한치과보철학회 2006년도 춘계학술대회 및 제3차 한일 공동 국제 학술대회
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• pp.116-116
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• 2006

• 한국결정학회:학술대회논문집
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• 한국결정학회 2001년도 임시총회 및 추계학술대회연구발표회(한국결정학회)
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• pp.5-5
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• 2001

• 한국결정학회:학술대회논문집
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• 한국결정학회 2002년도 정기총회 및 춘계학술연구발표회(한국결정학회)
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• pp.7-7
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• 2002