• Proceedings of the KIEE Conference
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• 2001.07a
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• pp.302-304
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• 2001

본 논문에서는 다 채널 위상 측정 장치를 전용하드웨어로 구현하기 위한 설계 구조에 대하여 제시하였으며, 연산량이 많은 곱셈기를 시분할에 의해 공유하는 구조를 제시하였다. 또한 페이저 측정을 위한 Sliding-DFT 알고리즘을 순환 구현할 경우의 근사 구현 오차에 관한 정량적인 연구를 수행하였다. 이러한 오차 영향의 해석을 기반으로 하여 곱셈기 공유 구조를 적용한 위상 측정 장치를 설계하고, 설계한 하드웨어의 내부동작을 보여주는 시뮬레이션을 통해 설계의 정확성을 확인하였다.

• Proceeding of EDISON Challenge
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• 2013.04a
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• pp.153-165
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• 2013

카이랄 ${\alpha},{\beta}$-불포화 N-Acyloxazolidinone은 Diels-Alder 반응의 친다이엔체로서 dialkylaluminium chloride 촉매하에서 높은 반응성과 부분입체선택성을 가지는 것이 이미 실험적으로 알려져 왔다. 제안된 Diels-Alder 반응의 메커니즘을 토대로 진행한 DFT 계산에서 dimethylaluminium chloride(이하 DMAC)는 $TiCl_4$에 비해 높은 endo 선택성을 띄는 반면, $TiCl_4$는 부분입체선택성에서 우세했다. 특히 DMAC는 현저히 낮은 활성화 에너지를 나타내어 이론적으로 반응속도의 측면에서 상당한 이득이 있음을 예측할 수 있다. 또한 chiral auxiliary로서 phenyl과 isopropyl은 구조적인 차이로 인해 선택성에서 역시 차이를 보였다. 계산화학적인 방법을 통한 입체선택적 Diels-Alder 반응의 분석은 알려진 메커니즘에 대한 명확한 증거를 제시할 뿐만 아니라 다른 유기합성 반응에 있어서 새로운 반응을 개발하는 데 이론적인 근거를 뒷받침 한다.

• Proceedings of the KSR Conference
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• 1998.11a
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• pp.280-287
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• 1998

In this paper, Dynamic Fault Tree algorithm(DFT algorithm) is presented. This new algorithm provides a concise representation of dynamic fault tolerance system structure with redundancy, dynamic redundancy management and complex fault ＆ error recovery techniques. And it allows the modeler to define a dynamic fault tree model with the relative advantages of both fault tree and Markov models that captures the system structure and dynamic behavior. This algorithm applies to TMR and Dual-Duplex systems with the dynamic behavior and show that this algorithm captured the dynamic behavior in these systems with fault ＆ error recovery technique, sequence-dependent failures and the use dynamic spare. The DFT algorithm for solving the problems of the systems is more effective than the Markov and Fault tree analysis model.

• Journal of Korea Society of Industrial Information Systems
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• v.22 no.2
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• pp.43-52
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• 2017

Pattern Analysis is One of the Most Important Techniques in the Signal and Image Processing and Text Mining Fields. Discrete Fourier Transform (DFT) is Generally Used to Analyzing the Pattern of Signals and Images. We thought DFT could also be used on the Analysis of Text Patterns. In this Paper, DFT is Firstly Adapted in the World to the Sentence Plagiarism Detection Which Detects if Text Patterns of a Document Exist in Other Documents. We Signalize the Texts Converting Texts to ASCII Codes and Apply the Cross-Correlation Method to Detect the Simple Text Plagiarisms such as Cut-and-paste, term Relocations and etc. WordNet is using to find Similarities to Detect the Plagiarism that uses Synonyms, Translations, Summarizations and etc. The Data set, 2013 Corpus, Provided by PAN Which is the One of Well-known Workshops for Text Plagiarism is used in our Experiments. Our Method are Fourth Ranked Among the Eleven most Outstanding Plagiarism Detection Methods.

• Journal of the Korean Chemical Society
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• v.51 no.1
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• pp.7-13
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• 2007

The oxazole plays an important role in the binding of lexitropsin to the guanine-cytosine base pair from minor groove of DNA. The geometry optimization is performed with DFT calculations for the two possible conformations of the protonated oxazole. The proton affinities are calculated at B3LYP level of theory with 6-31G* basis set for the optimized geometry. It is found that the proton affinites of the conformations in which the oxazole nitrogen is the protonation center are greater than that of the conformations in which the oxazole oxygen is the protonation center. This result is in good agreement with molecular electrostatic potential (MEP) contour map. The proton affinities are also studied for various substituted oxazoles with the electron-donating and -withdrawing groups to estimate substitutent effect on the proton affinity at the hydrogen bonding site of the oxazoles. it is shown that the electron-donating substituents increase the proton affinity of oxazole, while the electron-withdrawing substituents decrease it.

• The Journal of the Acoustical Society of Korea
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• v.7 no.2
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• pp.26-38
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• 1988

This paper describes three methods for the estimation of the impulse reponse in an indoor acoustic transfer system which rather has long reverberation time by the cross spectrum. The first method, which is the conventional one, will use the white noise as the source signal. Therefore, the very long time window data and numerous number of DFT are necessary for this estimation. The second method has been disigned in order to shorten the length of time window of the first method by using a burst of noise as the source signal. The third method which will be suggested in this paper uses too types of definite signal with short duration time of the source signal. According to the view point of computation capacity, and estimation accuracy of the impulse response, the compared experimental results show that the third method will be better than the others.

• Proceeding of EDISON Challenge
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• 2014.03a
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• pp.337-346
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• 2014

Trifluoromethylthiol functional group(이하 -SCF3)은 약학적으로 유용한 물질이다. 이 연구는 최근 개발된 Shibata의 Direct trifluoromethylthiolation reaction의 반응 메커니즘을 계산화학적으로 평가했다. 반응 메커니즘은 크게 Carbene formation, Rearrangement, Electrophilic SCF3 reagent generation 세 단계로 나눌 수 있다. 각 과정에 대해 구조에 대한 full optimization이 진행되었고, 특히 alpha-carbene sulfonyl species의 thermal rearrangement에 관한 첫번째 계산화학적 평가가 이루어졌다.

• Proceeding of EDISON Challenge
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• 2013.04a
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• pp.101-109
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• 2013

Diels-Alder 반응은 유기합성에서 중요하게 다뤄지는 고리형성 반응으로 위치 선택성과 더불어 단일 단계 반응이기에 특이한 입체 선택성을 갖는 것으로 알려졌다. 그러나 실제로는 단계적 반응 경로도 존재할 수 있음을 발견하였는데, 이 경우에 갖는 위치 선택성과 입체 선택성은 달라질 가능성이 높다. Density Functional Theorem(DFT)로 계산한 결과, 비대칭 Diels-Alder 에 대해 단계적 반응의 경우에도 마찬가지로 유사 ortho 형태에 endo 지향성을 나타내었지만 대칭 Diels-Alder 반응에 비해 단계적 반응이 일어나기 힘들다는 결론을 얻을 수 있었다.

• Journal of the Korean Chemical Society
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• v.66 no.5
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• pp.416-419
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• 2022

• Journal of Korean Society of Environmental Engineers
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• v.35 no.7
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• pp.457-463
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• 2013

The removal of sulfonamide antibiotics (SAs) by activated carbon was investigated by using granular activated carbon (GAC) tests and density functional theory (DFT) simulations. The GAC absorption tests show the removal efficiency of 68.4~90.7% and 99.0~99.9% in 1 and 24 hours, respectively. In both GAC tests, the removal efficiency of sulfamethazine (SMZ) was the highest followed by those of sulfathiazole (STZ) and sulfamethoxazole (SMTZ): SMZ > STZ > SMTZ. In DFT adsorption simulations, we found that the 4-aminobenzenesulfonamide parts of SMZ and STZ and the 3-methyl-1,2-oxazol-5-amine part of SMTZ are preferentially adsorbed on the edges of graphene model, provided that the adsorbates keep their structures without dissociation upon adsorption process. The adsorption energies of SMZ, STZ, and SMTZ are -4.91, -4.64, and -4.62 eV, respectively. This adsorption strength (SMZ > STZ > STMZ) agrees with the trend of the removal efficiency of SAs by GAC. In addition, dissociative adsorption configurations of SAs are discussed.