• Proceeding of EDISON Challenge
• /
• 2014.03a
• /
• pp.115-125
• /
• 2014

We investigate dissociation of diatomic molecules and anions using density functional theory (DFT) and density-corrected density functional theory (DC-DFT). We scan the potential energy curve of CH, NH and NO neutral molecule and its anion with both DFT and DC-DFT (in form of Hartree-Fock DFT, HF-DFT) using various functionals. Using CCSD(T) results as reference, we perform the error decomposition scheme recently proposed by Kim et al. The results show while most neutrals are $functio{\acute{n}}al$ error $domi{\bar{n}}ating$ normal calculations, $CH^-$ and $NO^-$ anions are density-driven error dominating abnormal calculations. In case of $NH^-$, traditional DFT goes to a wrong dissociation limit indicating abnormality, but both HF-DFT and CCSD(T) results need further investigation due to the kinks on the curve.

• Proceeding of EDISON Challenge
• /
• 2017.03a
• /
• pp.11-15
• /
• 2017

We present a study of transition metal compounds using density functional theory (DFT), and density-corrected density functional theory(DC-DFT). By replacing the self-consistent density with that obtained from Hartree-Fock calculation, i.e., HF-DFT, the abnormality driven by self-interaction error is removed in several important cases. We discuss when and how HF-DFT works by examining 3d orbital dimers using approximate functionals and by comparing the results from self-consistent-DFT and HF-DFT with experimental values.

• The Journal of the Acoustical Society of Korea
• /
• v.3 no.2
• /
• pp.30-34
• /
• 1984

본 논문에서는 인코히어런트광 매트릭스-벡터곱셈기를 이용하여 입력 데이터를 광학적으로 DFT 할 수 있는 방법을 연구하였다. DFT의 웨이팅함수를 매트릭스로 나타내어 본 논문에서 제시한 2 개의 성분 분할 방법을 이용하여 마스크상에 부호화하고 광매트릭스-벡터곱셈기내에 고정시켜서 입력 데이터와 광학적으로 곱하도록 하였다.

• Journal of Korean society of Dental Hygiene
• /
• v.1 no.2
• /
• pp.213-225
• /
• 2001

Objectives: This study was taken to investigate factors related to dental caries in deciduous teeth of preschool children. Methods : this study was completed by oral examination on 623 kindergarten pupils and questionnaire on their mothers in Sangju city from April 1 to May 20, 2001. Study design is Cross-sectional Study. Results: The mean values for decayed teeth indexed(dt index), filled teeth index(ft index), and decayed and filled teeth index(dft index) was 2.46, 1.85, and 4.30 respectively. 2.05 for girl was significantly lower than 2.77 of boy in gender (p<0.01). As child ren got older, values were higher(0.7 and 2.84 of three years old, 1.6 and 4.01 of four, 2.42 and 5.02 of five) in ft and dft index(p<0.001). Also, Mother age was almost same, that is, 4.12 dft value for 30~34 years was smaller than 6.17 for above forties(p<0.001). 2.07 and 4.68 for mothers who graduated from high school were higher than 1.36 and 3.34 for university in the ft and dft index(p<0.05), that is, the more they had a high educational level, the lower they got a values. Value 2.76 for children who had non cariogenic food was lower than 5.11 for those who had cariogenic food in dft index(p<0.001). In dft index, 3.82 of children who have learned the education on oral health from mother frequently have lower than 45 of children who have never learned (p<0.05). The ft value of children who had a snack food with mother(1.29) was a smaller than children had it at out of home(1.97)(p<0.05). The variables related 10 dft index were children and mothers age, educational level, and kinds of snack food (p<0.05). Conclusion : This study reveals that younger girl, younger mother, higher educational level, and non cariogenic foods showed lower dft index.

• Journal of the Korean Chemical Society
• /
• v.65 no.1
• /
• pp.9-14
• /
• 2021

In this study, the DFT calculation was performed using the B3LYP/6-31G(d,p) basis sets for the reaction process in which phenanthrene decomposes due to the chain reaction of two OH radicals on phenanthrene in the gaseous state of 298 K at 1 atm. As a result of the calculation, even when two OH radicals act on phenanthrene in a chain, the reaction for producing phenanthren-9-ol is predicted to be more advantageous than the reaction for producing phenanthren-1-ol. On the other hand, it was predicted that the OH addition process at room temperature would be advantageous for the priority of the OH addition and H abstraction process.

• The Journal of Korean Society for School & Community Health Education
• /
• v.12 no.2
• /
• pp.69-80
• /
• 2011

Objectives: The purpose of this study was to explore relationship among dft index, diet and oral health behavior, parental awareness in oral health care and social status. Methods: This study was conducted from 8 January, 2009 to 11 June, 2009 in Asan city and Seosan city in Chungnam area. 4 kindergratens, 3 preschools and 1 children language academy were randomly selected to research on dft index, diet and oral health behavior. cross-sectional study conducted among 561 valid samples out of 641 samples collected using the survey was and then followed by oral examination. Throughout the research, numerus SPSS 15.0 statistical techniques, T-test and ANOVA and Spearman correlation coefficients were used for analysis. Results: Key results of the study are as follows: Age was found to be statistically very significant to dft index(p=0.036). Age of mother, especially between 30 to 49, was found to be statistically significant to dft index rate(p=0.001). Occupation of father was also found to be statistically significant to dft index(p=0.036). High parental awareness in oral health care led to low dft index rate, which also was found to be statistically significant(p=0.036). Conclusions: In conclusion, as Spearman correlation coefficient demonstrates, occupation of father affects most on long-term healthy oral behavior followed by parental awareness in oral health care and age of mother.

• The Transactions of the Korean Institute of Electrical Engineers P
• /
• v.57 no.2
• /
• pp.102-108
• /
• 2008

AC generator plays an important role of power system. The large AC generator fault may lead to large impacts or perturbations in power system. And then the protection of a generator has very important role in maintaining stability in a power system. In present, the DFT(discrete Fourier transform) based RDR(ratio differential relay) had been widely applied to a internal fault of a generator stator winding. But DFT has a serious drawback. In the course of transforming a target signal to frequency domain, time information is lost. DWT uses a time-scale region. This paper proposes an advanced fault detection algorithm using DWT(discrete Wavelet transform) to enhance the drawback of conventional DFT based relaying. To evaluate the performance of the proposed relaying, we used the test data which were sampled with 720 [Hz] per cycle and obtained from ATP(alternative transient program) simulation. And we made a comparative study of conventional DFT based RDR and the proposed relaying.

• The Journal of Korean Institute of Communications and Information Sciences
• /
• v.35 no.8A
• /
• pp.777-784
• /
• 2010

Recently, the necessity of underwater communication and demand for transmitting and receiving various data such as voice or high resolution image data are increasing as well. The performance of underwater acoustic communication system is influenced by characteristics of the underwater communication channels. Especially, ISI(inter symbol interference) occurs because of delay spread according to multi-path and communication performance is degraded. In this paper, we study the OFDM technique to overcome the delay spread in underwater channel and by using CP, we compensate for delay spread. But PAPR which OFDM system has problem is very high. Therefore, we use DFT-spread OFDM method to avoid nonlinear distortion by high PAPR and to improve efficiency of amplifier. DFT-spread OFDM technique obtains high PAPR reduction effect because of each parallel data loads to all subcarrier by DFT spread processing before IFFT. In this paper, we show performance about delay spread through OFDM system and verify method that DFT spread OFDM is more suitable than OFDM for underwater communication. And we analyze performance according to two subcarrier mapping methods(Interleaved, Localized). Through the simulation results, performance of DFT spread OFDM is better about 5~6dB at $10^{-4}$ than OFDM. When compared to BER according to subcarrier mapping, Interleaved method is better about 3.5dB at $10^{-4}$ than Localized method.

• Journal of Internet Computing and Services
• /
• v.4 no.3
• /
• pp.31-37
• /
• 2003

In this paper, an efficient non-scan design-for-testability (DFT) method for finite state machine(FSM) is proposed. The proposed method always guarantees short test pattern generation time and complete fault efficiency. It has a lower area overhead than full-scan and other non-scan DFT methods and enables to apply test patterns at-speed. The efficiency of the proposed method is demonstrated using well-known MCNC'91 FSM benchmark circuits.

• Journal of Integrative Natural Science
• /
• v.15 no.4
• /
• pp.187-194
• /
• 2022

Protein Arginine Methyltransferase 5 (PRMT5), a significant member of the PRMT family, is a promising anticancer target. In this study, novel small compounds that act against the PRMT5 target are found by combining virtual screening with ChEMBL database medicines and Density Functional Theory. The ChEMBL database compounds were screened to retrieve the hit molecules, which further subjected for DFT analysis. Finally we have evaluated that ChEMBL- approved drugs such as Lifitegrast, Abiraterone acetate and Solifenacin may be potential inhibitors for PRMT5.