• Bulletin of the Korean Chemical Society
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• 제22권9호
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• pp.969-974
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• 2001

Model calculations for small molecules Li2, F2, LiF and BF have been performed at the Dirac-Fock level of theory using Dirac-Coulomb and Dirac-Coulomb-Magnetic Hamiltonians with various basis sets. In order to understand what may happen when the relativity becomes significant, the value of c, speed of light, is varied from the true value of 137.036 a.u. to 105 (nonrelativistic case) and also to 50 and 20 a.u. (exaggerated relativistic cases). Qualitative trends are discussed with special emphasis on the effect of the magnetic part of the Breit interaction term. The known relativistic effects on bonding such as the bond length contraction or expansion are demonstrated in this model study. Total energy, $\pi-orbital$ splitting, bond length, bond dissociation energy and dipole moment are calculated, and shown to be modified in a uniform direction by the effect of the magnetic term. Inclusion of the magnetic term raises the total energy, increases the bond length, reduces the $\pi-orbital$ splitting, increases the bond dissociation energy, and mitigates the changes in dipole moment caused by the Dirac term.

• 한국광학회지
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• 제2권4호
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• pp.203-208
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• 1991

모드동기된 아르곤 이온 레이저를 여기광원으로 사용한 시간상관 단일광자 계수장치를 이용하여 에틸렌글리콜 용매 내에서 Rhodamine 6G에서 Malachite Green으로의 비복사 에너지전달과정을 연구하였다. 측정된 donor의 형광소멸곡선을 full-fitting 방법으로 분석 처리하여 acceptor 농도의 변화에 따른 환산농도와 임계전이거리를 구했다. donor의 농도가 acceptor의 농도 보다 클때는 donor-donor의 원거리 쌍극자 모멘트에 의한 에너지 이주 효과를 고려해야하며 Forster 모델 보다 Huber 모델이 더 적절하였다.

• Current Optics and Photonics
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• 제3권3호
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• pp.248-255
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• 2019

Spherical $CeO_2:Ho^{3+}/Yb^{3+}$ particles were synthesized using spray pyrolysis, and the upconversion (UC) properties were investigated with changing the preparation conditions and the infrared pumping power. The resulting particles had a size of about $1{\mu}m$ and hollow structure. The prepared $CeO_2:Ho^{3+}/Yb^{3+}$ particles exhibited intense green emission due to the $^5F_4/^5S_2{\rightarrow}^5I_8$ transition of $Ho^{3+}$ and showed weak red or near-IR peaks. In terms of achieving the highest UC emission, the optimal concentrations of $Ho^{3+}$ and $Yb^{3+}$ were 0.3% and 2.0%, respectively. The UC emission intensity of prepared $CeO_2:Ho^{3+}/Yb^{3+}$ particles had a linear relationship with crystallite size and concentration quenching was caused by dipole-dipole interaction between the same ions. Based on the dependency of UC emission on the pumping power, the observed green upconversion was achieved through a typical two-photon process and concluded that the main energy transfer from $Yb^{3+}$ to $Ho^{3+}$ was involved in the ground-state adsorption (GSA) process.

• Current Optics and Photonics
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• 제3권2호
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• pp.143-149
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• 2019

Shape ellipticity dependence of the exciton fine energy levels in CdTe and CdSe nanocrystal quantum dots were compared theoretically by considering the crystal structure and the Coulomb interaction of an electron and a hole. While quantum dot ellipticity changes from an oblate to prolate quantum dot via spherical shape, both the fine energy levels and the dipole moment in wurtzite structure of a CdSe quantum dot change linearly for ellipticity. In contrast, CdTe quantum dots were found to show a level crossing between the bright and dark exciton states with a significant change of the dipole moment due to the cubic structure. Shape ellipticity dependence of the optical nonlinearities in CdTe and CdSe nanocrystal quantum dots was also calculated by using semiconductor Bloch equations. For a spherical shape quantum dot, only $1^L$ dominates the optical nonlinearities in a CdSe quantum dot, but both $1^U$ and $0^U$ contribute in a CdTe quantum dot. As excitation pulse area becomes strong (${\sim}{\pi}$), the optical nonlinearities of both CdSe and CdTe quantum dots are mainly governed by absorption saturation. However, in the case of a prolate CdTe quantum dot, the real part of the nonlinear refractive index becomes relatively significant.

• Bulletin of the Korean Chemical Society
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• 제27권11호
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• pp.1752-1756
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• 2006

This study explores and interprets in a new way the complex solvent and the temperature dependence of the NMR shifts for the N-$CH_2$ protons in tris(N,N-diethyldithiocarbamato) iron(III) in acetone, benzene, carbon disulfide, chloroform, dimethylformamide and pyridine. The NMR shifts are interpreted in terms of the Fermi contact interaction and the dipolar term from the multipole expansion of the interaction of the electron orbital angular momentum and the electron spin dipolar-nuclear spin angular momentum. This analysis yields a direct measure of the effect of the solvent system on the environment of the transition metal ion. The results are analysed in terms of the crystal field environment of the transition metal ion with contributions from (a) the dithiocarbamate ligand (b) the solvent molecules and (c) the interaction of the effective dipole moment of the polar solvent molecule with the transition metal ion complex.

• 대한기계학회논문집
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• 제14권5호
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• pp.1337-1348
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• 1990

본 연구에서는 Peng-Robinson 상태 방정식을 기본으로 하여 먼저 단일 성분의 냉매에 대한 열역학적 물성치를 구한 뒤 그 정확도를 검증하고, 동일한 형태의 상태식 과 적절한 혼합 법칙을 통해 혼합냉매의 기액 평형 상태와 냉동 및 열펌프 사이클 해 석에 필요한 엔탈피와 엔트로피 등의 열역학적 물성치를 추산하고자 한다.단일 성 분의 냉매로서는 R13B1, R22, R12, R152a, R114를 택하였고, 혼합냉매로서는 앞의 단 일성분 냉매를 혼합한 것 중에서 그 기초적인 실험 자료가 아미 알려진 R13B1/R114, R22/R114, R12/R114 R152a/R114, R13B1/R152a 및 R13B1/R12를 택하였다. 이는 추후 상이한 냉매를 단일식으로 나타낼 수 있는 대응상태의 원리를 사용한 열물성 계산의 기반이 될 수 있을 것이다.

• 비파괴검사학회지
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• 제24권5호
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• pp.508-517
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• 2004

근접장의 특성과 근접장 마이크로파 현미경의 배경이론을 설명하였고 유전체 공진기 제작에 앞서 HFSS (high frequency structure simulator)를 이용한 모의 시뮬레이션을 기술하였다. 이것을 바탕으로 원통형 유전체 공진기를 제작하여 금속탐침과 결합한 근접장 마이크로파 현미경(near field scanning microwave microscope : NSMM)을 구성하였다. 제작한 유전체 공진기의 특성은 HFSS를 이용하여 모의 실험한 결과와 비교하였다 Tip의 기하학적 모양에 따른 공간분해능과 감도(sensitivity)를 연구하였고 contrast가 가장 좋은 hybrid tip을 개발하였다. 전도도가 서로 다른 금속시료에 따른 NSMM의 반사계수의 변화를 측정하였고 실험결과와 이론적 시료의 임피던스를 비교하였다. 마지막으로 유전체 공진기를 이용한 NSMM으로 공간 분해능이 $1{\mu}m$의 Cr과 NiFe 패턴의 이미지를 비접촉, 비파괴방법으로 얻었다.

• 폴리머
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• 제24권6호
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• pp.886-892
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• 2000

폴리비닐페놀 (PVPh)을 LiOH로 중화시켜 중화도가 다른 여러 종류의 PVPh 이오노머 (PVPh-Li)를 제조하였다. 중화도에 따른 PVPh-Li의 $T_{g}$ 변화를 DSC로 측정한 결과 Li mol% 당 3.$8^{\circ}C$의 $T_{g}$ 증가가 관찰되었으며 유사한 구조를 지닌 poly(styrene-co-hydroxy styrene)의 3.$2^{\circ}C$ 증가에 비해 높은 수치이다. 이는 중화되지 않은 -OH가 -OLi와 강한 상호작용을 하기 때문인 것으로 생각되며, 이러한 상호작용으로 인해 -OLi 끼리의 클러스터 형성이 어려워져 소각X선산란 실험에서도 뚜렷한 피크가 관찰되지 않았다. 제조된 PVPh-Li를 PVPh와 블렌드시 50/50 조성의 경우 중화도가 10 mo1%인 PVPh-Li와 혼합되어도 상분리를 관찰할 수 없었으나, 폴리메틸메타크릴레이트 (PMMA)와 블렌드시 중화도가 5 mol%인 PVPh-Li가 혼합되면 거대 상분리를 관찰할 수 있었다. 이로부터 수소결합으로 인해 혼화성이 있는 블렌드라 하더라도 한 성분을 이오노머를 변환할 경우 새로운 강한 분자간 이온-다이폴 상호작용이 생성되지 않는 한, 아주 낮은 정도만 이오노머로 변환되어도 혼화성이 급격히 감소해 상분리가 관찰됨을 알 수 있었다.

• Journal of Astronomy and Space Sciences
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• 제32권4호
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• pp.317-325
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• 2015

Energy spectra of electron microbursts from 170 keV to 340 keV have been measured by the solid-state detectors aboard the low-altitude (680 km) polar-orbiting Korean STSAT-1 (Science and Technology SATellite). These measurements have revealed two important characteristics unique to the microbursts: (1) They are produced by a fast-loss cone-filling process in which the interaction time for pitch-angle scattering is less than 50 ms and (2) The e-folding energy of the perpendicular component is larger than that of the parallel component, and the loss cone is not completely filled by electrons. To understand how wave-particle interactions could generate microbursts, we performed a test particle simulation and investigated how the waves scattered electron pitch angles within the timescale required for microburst precipitation. The application of rising-frequency whistler-mode waves to electrons of different energies moving in a dipole magnetic field showed that chorus magnetic wave fields, rather than electric fields, were the main cause of microburst events, which implied that microbursts could be produced by a quasi-adiabatic process. In addition, the simulation results showed that high-energy electrons could resonate with chorus waves at high magnetic latitudes where the loss cone was larger, which might explain the decreased e-folding energy of precipitated microbursts compared to that of trapped electrons.

• 한국미생물·생명공학회지
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• 제28권1호
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• pp.26-32
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• 2000

Electrostatic forces contribute to the high degree of enzyme transition state complementarity in enzyme catalyzed reaction and such forces are modified by the solvent through its dielectric constant and polar properties. The contributions of electrostatic interaction to the formation of ES complex and the stabilization of transition state of the trypsin catalyzed reaction were probed by kinetic studied with high pressure and solvent dielectric constant. A good correlation has been observed between the increase of catalytic efficiency of trypsin and the decrease of solvent dielectric constant. Activation volume linearly decreased as the dielectric constant of solvent decreased, which means the increase in the reaction rae. Moreover, the decrease of activation volume by lowering the solvent dielectric constant implies a solvent penetration of the active with and a reduction of electrostatic energy for the formation of dipole of the active site oxyanion hole. When the 야electric constant of the solvents was lowered to 4.7 unit, the loss of activation energy and that of free energy of activation were 2.262 KJ/mol and 3.169 KJ/mol, respectively. The results of this study indicate that the high pressure kinetics combined with solvent effects can provide unique information on enzyme reaction mechanisms, and the controlling the solvent dielectric constant can stabilize the transition state of the trypsin-catalyzed reaction.