• Bulletin of the Korean Chemical Society
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• 제30권4호
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• pp.837-845
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• 2009

We have performed DFT calculations to investigate the conformational characteristics and hydrogen bonds of the calix[6]arene (1) and p-tert-butylcalix[6]arene (2). The structures of various conformers of 1 were optimized by using the B3LYP/6-31G(d,p) and /6-31+G(d,p) methods followed by single point calculation of MPW1PW91/ 6-31G(d,p). The relative stability of the conformers of 1 is in the following order: cone (pinched: most stable) > partial-cone > cone (winged) $\sim$ 1,2-alternate $\sim$ 1,2,3-alternate > 1,4-alternate > 1,3-alternate > 1,3,5-alternate. The structures of different conformers of 2 were optimized by using the B3LYP/6-31G(d,p) method followed by single point calculation of MPW1PW91/6-31G(d,p). The relative stability of the conformers of 2 is in the following order: cone (pinched) > 1,2-alternate > cone (winged) > 1,4-alternate $\sim$ partial-cone > 1,2,3-alternate > 1,3,5alternate > 1,3-alternate. One of the important factors affecting the relative stabilities of the various conformers of the 1 and 2 is the number and strength of the intramolecular hydrogen bonds.

• Bulletin of the Korean Chemical Society
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• 제34권2호
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• pp.470-474
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• 2013

Surfaced-enhanced Raman scattering (SERS) of 4,4'-biphenyldithiol (BPDT) has been investigated at a silver island film. Ordinary Raman (OR) spectra of neat sample in solid state and in basic solution have also been taken for comparison. The spectral feature in the SERS spectrum was similar to that for the OR spectrum in basic solution, except for the broadening of ring stretching bands indicative of the presence of surface-phenyl ring $\pi$ interaction. In contrast, only absence of the C-H stretching band with very small Raman scattering cross-section seemed not pertinent in judging the definitive orientation of molecule. The observed vibrational bands in the SERS spectrum have been assigned by referring to the normal modes and wavenumbers from density functional theory (DFT) calculations of the simple model as 4,4'-biphenyldithiolates bound to two Ag atoms at the both ends. Excellent agreement between the experimental and the calculated results was achieved, which is remarkable considering the level of theory applied.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2009년도 제38회 동계학술대회 초록집
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• pp.310-310
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• 2010

Electronic and photovoltaic characteristics of two sensitizers (TA-BTD-CA and TA-BTD-St-CA), composed of a different $\pi$-conjugation in the linker group, have been investigated by theoretical and experimental methods. The electronic structure, transition dipole moment and oscillator strengths of two sensitizers have been scrutinized by using density functional theory (DFT) and time-dependent DFT (TD-DFT) method. The LUMO level and the oscillator strength of TA-BTD-St-CA was higher than that of TA-BTD-CA, which may facilitate the electron injection process as well as increase the absorption coefficient. The relative efficiencies of the electron injection from the excited sensitizer to nanocrystalline TiO2 and SnO2 films have also been investigated by nanosecond transient absorption spectroscopy. The relative electron injection efficiency of TA-BTD-St-CA exhibited similar injection efficiency for two different semiconductors. However, in the case of TA-BTD-CA sensitizer, electron injection into SnO2 was approximately three times larger than that into TiO2. This enhancement of electron injection of TA-BTD-CA for the SnO2 is due to the increment of the driving force caused by positive shift of conduction band of semiconductor, which was also confirmed from the investigation for the photovoltaic characteristics according to the electrolyte additive, such as LiI additive.

• Corrosion Science and Technology
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• 제21권2호
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• pp.77-88
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• 2022

Schiff base quinazoline derivative viz., 3-((2-hydroxy-3-methoxybenzylidene)amino)-2-methylquinazolin-4(3H)-one (SB-Q), was synthesized in this study. Its corrosion protection impact on mild steel (MS) in 1 M hydrochloric acid solution was examined by performing weight loss measurements. The protective efficacy of SB-Q on MS in 1 M HCl was investigated based on its concentrations, immersion period, and immersion temperature. SB-Q was found to be an efficient inhibitor for the corrosion of MS. Its inhibition efficiency was improved by increasing the concentration of SB-Q to an optimal concentration of 500 ppm. Its inhibition efficacy was 96.3% at 303K. Experimental findings revealed that its inhibition efficiency was increased with increasing immersion time, but decreased with an increase in temperature. The adsorption of SB-Q molecules was followed the Langmuir adsorption isotherm model. The adsorption of the examined inhibitor molecules on the surface of mild steel was studied by density functional theory (DFT). DFT investigation confirmed weight loss findings.

• 한국방송∙미디어공학회:학술대회논문집
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• 한국방송∙미디어공학회 2020년도 추계학술대회
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• pp.87-90
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• 2020

GPU의 발전과 함께 성장한 딥러닝(Deep Learning)은 영상 분류 문제에서 최고의 성능을 보이고 있다. 그러나 합성곱 신경망 기반의 모델을 깊게 쌓음에 따라 신경망의 표현력이 좋아짐과 동시에 때로는 학습이 잘되지 않고 성능이 저하되는 등의 부작용도 등장했다. 성능 향상을 방해하는 주요 요인 중 하나는, 차원감소 목적에 따라 필연적으로 정보 손실을 겪어야 하는 풀링 계층에 있다. 따라서 특성맵(Feature map)의 차원감소를 통해 얻게 되는 비용적 이득과 모델의 분류 성능 사이의 취사선택(Trade-off)이 존재한다. 그리고 이로부터 자유로워지기 위한 다양한 연구와 기법이 존재하는데 Spectral Pooling도 이 중 하나이다. 본 논문에서는 이산 푸리에 변환(Discrete Fourier Transform, DFT)을 이용한 Spectral Pooling에 대한 소개와, 해당 풀링의 성질을 통상적으로 사용되고 있는 Max Pooling과의 성능 비교를 통해 분석한다. 또한 영상 내 고주파수 부분에서 특히 더 강건하지 못하다는 맥스 풀링의 고질적인 문제점을, Spectral Pooling과의 하이브리드(Hybrid) 구조를 통해 어떻게 극복해나갈 것인지 그 가능성을 중심으로 실험을 수행했다.

• ETRI Journal
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• 제46권3호
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• pp.392-403
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• 2024

Even though generalized frequency division multiplexing is an alternative waveform method expected to replace the orthogonal frequency division multiplexing in the future, its implementation must alleviate channel effects. Least-squares (LS), a low-complexity channel estimation technique, could be improved by using the discrete Fourier transform (DFT) without increasing complexity. Unlike the usage of the LS method, the DFT-based method requires the receiver to know the channel impulse response (CIR) length, which is unknown. This study introduces a simple, yet effective, CIR length estimator by utilizing LS estimation. As the cyclic prefix (CP) length is commonly set to be longer than the CIR length, it is possible to search through the first samples if CP is larger than a threshold set using the remaining samples. An adaptive scale is also designed to lower the error probability of the estimation, and a simple signal-to-interference-noise ratio estimation is also proposed by utilizing a sparse preamble to support the use of the scale. A software simulation is used to show the ability of the proposed system to estimate the CIR length. Due to shorter CIR length of rural area, the performance is slightly poorer compared to urban environment. Nevertheless, satisfactory performance is shown for both environments.

• 대한소아치과학회지
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• 제26권1호
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• pp.162-171
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• 1999

The purpose of this study was to make a comprehensive study and to provide information about the dental caries of autistic persons, and to aid improvement of their oral health. The authors examined intraorally 114(male; 87, female; 27) autistic persons and 119(male; 68, female; 51) normal persons as control group. The obtained results were as follows: 1. Autistic persons were found to have lower dft rate than normal persons. 2. There was no significant difference in dental caries incidence between male and female autistic persons. 3. Institutionalized autistic persons were found to have lower dental caries incidence of deciduous teeth than non-institutionalized autistic persons. 4. Autistic persons whose parent's occupation is laborer were found to have higer dft index than those whose parent's occupation is private business or employee.

• 한국치위생학회지
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• 제4권2호
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• pp.165-177
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• 2004

The purpose of this study was to analyze the influence of child's general property, mother's social and economic property, mother's knowledge and behavior in oral hygiene upon the appearance and treatment of child's primary tooth decay. For the purpose, oral examination was applied to one hundred three(103) small children who were at the age between four(4) and seven(7) and went to two(2) places of day care centers located in Seoul, and questionnaire was done to their mothers. The results of the study are as follows. 1. The number of children's dt is 1.55, the number of their ft is 1.42, dft index for primary tooth is 2,98, ft rate is 45.61%, and the higher child's age is, the higher their value is. 2. Mother's age, educational background, and occupation does not show significant difference with dft index for primary tooth. The higher mother's monthly average income is, the higher child's ft rate is. 3. dft index for primary tooth does not show significant difference according 10 mother's knowledge in oral hygiene. And, the child of mother using dental floss does show higher it rate in comparison with the one of mother who does not use dental floss, 4. Experience using dental clinic to treatment tooth decay does show significant difference with dft index for primary tooth. And experience using dental clinic for the purpose of oral examination and preventive treatment does show significant difference with ft rate. 5. From the result of multiple regression with dependent variable of dft index for primary tooth, there is no variable having significant influence. From the result of multiple regression with dependent variable of ft rate, explanatory variable is 43%, child's age, mother's occupation, mother's monthly average income, and experience using dental clinic to prevent tooth decay are significant explanatory elements. Through the above results, we can know that mother should practice positive behavior in oral hygiene for child to improve oral health. Under the reason, oral health education should be applied toward mothers as soon as possible, and governmental support should be followed so that mothers can participate in the education.

• 전기학회논문지P
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• 제58권2호
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• pp.122-129
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• 2009

Frequency is an important operating parameter of a power system. It is essential that the frequency of a power system be maintained very close to its nominal frequency. And frequency measurement devices have need to measure a fast and accurate of frequency using voltage signals. This paper proposes a comparative study of frequency estimation techniques using the high speed FIR filter based algorithm, the DFT filter based algorithm using phasor angle between two phasors, and positive sequence component based algorithm using the half angle between two successive positions of phasor. The discussed three techniques have been formed through numerical manipulation of a discrete system. The proposed techniques have been tested using signals obtained from selected power system model using ATP simulation package. Some test results are shown in this paper.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2014년도 제46회 동계 정기학술대회 초록집
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• pp.186.1-186.1
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• 2014

Graphene, which is a 2-dimensional carbon material, has been attracting much interest due to its unique properties and potential applications. So far, many interesting experimental and theoretical works have been done concerning the electronic properties of graphene on various substrates. Especially, there are many experimental reports about doping in graphene which is caused by interaction between graphene and its supporting substrates. Here, we report the study of charge transfer between graphene and oxide substrates using density functional theory (DFT) calculations. In this study, we have investigated the charge transfer related with graphene considering various oxide substrates such as SiO2(0001) and MgO(111). Details in charge transfer between graphene and oxides are analyzed in terms of charge density difference, band structure and work function.