• Bulletin of the Korean Chemical Society
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• v.16 no.5
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• pp.436-438
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• 1995

Based on the collisional time-correlation function approach a general analytical expression has been derived for the double differential cross-section with respect to the scattering angle and the final rotational energy, which can be applied to molecules with non-zero electronic orbital angular momentum after collision with fast hydrogen atoms. By integrating this expression another very simple expression, which gives the final rotational distribution as a function of the rotational quantum number, has also been derived. When this expression is applied to NO(2Π1/2, v'=1) and NO(2Π3/2, v'=1, 2, 3), it can reproduce the experimental rotational distribution after collision with fast H atom very well. The average rotational quantum number and average rotational energy using this expression are also in good agreement with those deduced from the experimental distributions.

• Bulletin of the Korean Chemical Society
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• v.27 no.7
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• pp.1048-1052
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• 2006

Ab initio calculations of the structure, atomic charges and natural bond orbital (NBO) have been performed at HF/6-311G** and B3LYP/6-311G** levels for the title compound of dibenzothiazyl-disulfide. The calculated results show that the two nitrogen atoms have the biggest negative charges and they are the potential sites to react with the metallic ions, which make the title compound become a di-dentate ligand. Vibrational frequencies of the title compound have been obtained and compared with the experimental value and the comparison indicates that B3LYP/6-311G** level is better than HF/6-311G** level to predict the vibrational frequencies for the system studied here. For the title compound, electronic absorption spectra calculated by time?ependent density functional theory (TD-DFT) are more accurate than Hartree-Focksingle-excitation CI (CI-Singles) method. NBO analyses show that the electronic transitions are mainly derived from the contribution of bands $\pi\rightarrow\pi^{*}$. Thermodynamic calculated results show that the formation of the title compound from 2-mercaptobenzothiazole is a spontaneous process at room temperature with the change of free Gibbs being negative value.

• Bulletin of the Korean Chemical Society
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• v.34 no.12
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• pp.3727-3732
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• 2013

The interaction between metalloporphyrins and diazine tautomers was investigated using quantum chemistry method. The results showed that the metal atom in the metalloporphyrin was not coplanar with porphin ring, and zinc porphyrin has the most extent of its non-coplanar nature. The most stable complex in nine complexes was iron porphyrin. NBO analysis indicated that the interaction between the lone pair of electrons on the nitrogen atom and the unoccupied lone pair orbital of metal contributes significantly to the stability of the complexes. Through the conceptual DFT parameter and Fukui dual descriptor, the thermodynamic stability and reactivity of complexes were analyzed. The density difference function (DDF) analyzes were performed to explore the rearrangement of electronic density after the coordination interaction. NICS calculation indicated that metalloporphyrin aromaticity was reduced after the coordination interaction, and aromaticity of diazine tautomer was increased along direction vector of the coordination interaction force.

• Applied Chemistry for Engineering
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• v.23 no.3
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• pp.289-292
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• 2012

Au electrodes modified with self-assembled monolayers (SAMs) were used to control the work function of source/drain electrodes in triethylsilylethynyl anthradithiophene (TES ADT)-based organic thin film transistors (OTFTs). By using benzothiol (BT) and pentafluorobenzothiol (PFBT) SAMs, the hole injection barrier between Au and the highest occupied molecular orbital (HOMO) of TES ADT was controlled. After a solvent annealing, TES ADT OTFTs with PFBT SAM-treated Au electrodes were found to exhibit high field-effect mobilities of $0.05\;cm^2/Vs$ and on/off current ratios of $10^6$.

• Journal of Electrical Engineering and Technology
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• v.6 no.5
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• pp.697-705
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• 2011

In this paper, a closed-loop system constructed with a linear plant and nonlinearity in the feedback connection is considered to argue against its planar orbital stability. Through a state space approach, a main result that presents a sufficient stability criterion of the limit cycle predicted by solving the harmonic balance equation is given. Preliminarily, the harmonic balance of the nonlinear feedback loop is assumed to have a solution that determines the characteristics of the limit cycle. Using a state-space approach, the nonlinear loop equation is reformulated into a linear perturbed model through the introduction of a residual operator. By considering a series of transformations, such as a modified eigenstructure decomposition, periodic averaging, change of variables, and coordinate transformation, the stability of the limit cycle can be simply tested via a scalar function and matrix. Finally, the stability criterion is addressed by constructing a composite Lyapunov function of the transformed system.

• Korean Journal of Remote Sensing
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• v.34 no.3
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• pp.565-578
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• 2018

In this paper, we investigate the feasibility of modelling image strips, instead of individual scenes, that have been acquired from the same orbital pass through the process of bundle adjustments. Under this approach, First, a rational function model (RFM) of the strip image is generated from the RFMs of individual images, such that the entire strip of images can be treated as a single image. Correction parameters are calculated through bundle adjustments between strip images. For the experiment, we used two stereo strips. Each strip image consists of three KOMPSAT-3A scenes. Experimental results show that it was possible to improve the initial model by using the control points located in a specific region of the strip. We showed that absolute orientation with moderate accuracy of 2 m errors were achieved from 12 ground control points for the three-image strips. The test results indicate that bundle adjustment of strip images could be more efficient than bundle adjustments of the individual scenes.

• Journal of IKEEE
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• v.24 no.3
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• pp.706-712
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• 2020

To improve light-emitting performance of green phosphorescent organic light-emitting diodes (OLEDs), we introduced new hole injection materials-hexaazatrinaphthylene (HATNA) derivatives as a solution processed hole injection layer (HIL). The HATNA derivative has a low the lowest unoccupied molecular orbital (LUMO) energy level, similar to the work function of Indium Tin Oxide (ITO), showing a different concept of hole injection mechanism. It was confirmed that the device efficiency of OLEDs using HATNA-HIL showed the improved external quantum efficiency from 10.8% to 15.6% and current efficiency from 32.7 cd/A to 42.7 cd/A due to the balance of electrons and holes in the emissive layer.

• Bulletin of the Korean Chemical Society
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• v.27 no.12
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• pp.2002-2010
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• 2006

This study examined the quenching of ofloxacin (OFL) and flumequine (FLU) fluorescence by $Cuj^{2+}$, $Ni^{2+}$, $Co^{2+}$ and $Mn^{2+}$ in an aqueous solution. The change in the fluorescence intensity and lifetime was measured at various temperatures as a function of the quencher concentration. According to the Stern-Volmer plots, the fluorescence emission was quenched by both collisions (dynamic quenching) and complex formation (static quenching) with the same quencher but the effect of static quenching was larger than that of dynamic quenching. Large static and dynamic quenching constants for both OFL and FLU support significant ion-dipole and orbital-orbital interactions between fluorophore and quencher. For both molecules, the static and dynamic quenching constants by $Cu^{2+}$ were the largest among all the metal quenchers examined in this study. In addition, both the static and dynamic quenching mechanisms by $Cu^{2+}$ were somewhat different from the quenching caused by other metals. Between $Ni^{2+}$ and FLU, a different form of chemical interaction was observed compared with the interaction by other metals. The change in the absorption spectra as a result of the addition of a quencher provided information on static quenching. With all these metals, the static quenching constant of FLU was larger than those of OFL. The fluorescence of OFL was quite insensitive to both the dynamic and static quenching compared with FLU. This property of OFL can be explained by the twisted intramolecular charge transfer in the excited state.

• Proceedings of the KSRS Conference
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• 2002.10a
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• pp.751-756
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• 2002

Since the operation of the first satellite-based navigation services, satellite positioning has played an increasing role in both surveying and navigation, and has become an indispensable tool for precise relative positioning. However, in some situations, e.g. at a low angle of elevation, the use of satellites for navigation is seriously restricted because obstacles like buildings and mountains can block signals. As a mean to resolve this problem, the quasi-zenith satellite system has been proposed as a next-generation satellite navigation system. Quasi-zenith satellite is a system which simultaneously deploys several satellites in a quasi-zenith geostationary orbit so that one of the satellites always stay close to the zenith if viewed from a specific point on the ground of East Asia. Thus, if a position measurement function compatible with GPS is installed in the quasi-zenith and stationary satellites, and these satellites are utilized together with the GPS, four satellites can be accessed simultaneously nearly all day long and a substantial improvement in position measurement, especially in metropolitan areas, can be achieved. The purpose of this paper is to evaluate the effectiveness of quasi-zenith satellite system on positioning accuracy improvement through simulation by using precise orbital information of the satellites and a three-Dimensional digital map. Through this simulation system, it is possible to calculate the number of simultaneously visible satellites and available area of the positioning without the need of actual observation.

• Proceedings of the Polymer Society of Korea Conference
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• 2006.10a
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• pp.238-238
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• 2006

Through ultra-violet photoemission spectroscopy in-situ experiment, 0.67 eV energy barrier between 1-hexadecanethiol (HDT)-modified gold and pentacene was observed, which was 0.03 eV smaller than the energy barrier between bare gold and pentacene despite HDT modified gold had 0.8 eV lower work function than that of bare gold. This result is opposed to the idea that increasing the work function a metal decreases the energy barrier. This can be explained by two factors. One is the absence of interface dipole, which is observed in pentacene deposited on gold. The other is reduced ionization energy which can be explained through polarization energy or electronic splitting of molecular orbital with more crystalline structure observed through X-ray diffraction patterns.