전자 밀도 범함수론을 이용한 수소 분자 이합체에 대한 연구

김창신,이영식 경희대학교 자연과학종합연구원 1998 자연과학논문집 Vol.4 No.-

Gaussian 94 package 와 전자 밀도 범함수론을 이용하여 우주 공간에서 발견된(H_(2))_(2)의 구조와 정규모드 진동수를 계산하였다. 본 연구 결과를 이미 보고된 ab initio의 계산 결과와 비교하였고, 이를 토대로 실험적으로 구해진(H_(2))_(2)의 여러 정규모드 진동수를 이론적으로 예측하였다. 그 결과 반 데르 발스 복합체의 구조와 에너지를 계산하는데 전자밀도 범합수론이 ab initio의 계산방법과 유사한결과를 제공하였다 따라서 전자 밀도 범함수론을 이용한 계산 방법이 반 데르 발스 이합체의 물리적 성질을 예측하는데 경제적이면서도 효과적인 것을 알 수 있었다. Molecular hydrogen dimer, (H_(2))_(2) was studied using GAUSSIAN 94 package and density functional theory (DFT). Calculated results on structures, total energy, dimerization energy, and vibrational frequencies were compared to those obtained by ab initio calculations. Calculated vibrational frequencies were compared with experimental observations. DFT method was successfully describe the physical properties of hydrogen van der Wads complex. It suggests that DFT method is economical and efficient method for computational studies.

한반도 주변 해역 해양기후모델 구축 및 수산분야 적용

김창신,이준수,양준용,한인성 한국수산과학회 2024 한국수산과학회지 Vol.57 No.2

We developed a regional ocean climate model using dynamic downscaling in the Northwest Pacific Ocean to build a climate model for the Korean Peninsula. The past marine environment was reproduced through historical simulations, and the future marine environment in 2100 was predicted according to the shared socioeconomic pathways (SSP) climate change scenario. The future sea surface temperature of the Korean seas is predicted to rise about 1–4°C, and the increase in water temperature in the East Sea is expected to be the largest. The National Institute of Fisheries Science has monitored abnormal seawater temperatures such as high and low seawater temperatures in coastal and inland waters, and predicted that the number of high seawater temperature days in the East, West, South Sea, and the coast of Jeju Island will increase in the future. In addition, the occurrence of Ciguatera fish poison plankton around Jeju Island was projected to increase. This study is expected to provide accurate forecasting information for fishery issues. The aim of this study was to analyze future ocean environment changes around the Korean Peninsula using climate change SSP scenarios and predict fisheries issues through future projections of the regional ocean climate model.

시공의 변화를 중심을 <금오신화>를 살핌(1)

김창신 慶熙大學校 文理科大學 國語國文學會 1997 慶熙語文學 Vol.17 No.-

H_(2)…CO 반 데르 발스 복합체의 구조적 연구

김창신,이영식 경희대학교 자연과학종합연구원 1999 자연과학논문집 Vol.5 No.-

H_(2)…CO 반 데르 발스 복합체는 H_(2)…H_(2)와 같이 매우 약하게 결합하는 복합체이다. 이미 Mckellar 등에 의해 이합체의 낮은 해상도를 이용한 스펙트럼이 보고되었지만, H_(2)…CO 반 데르 발스 복합체는 구조는 아직 규명되지 않았다. 본 논문에서는 전자 밀도 범함수론, 선험적 방법을 이용해서 가능한 구조를 예측했고, 최소 에너지, 최적화된 구조와 조화진동수를 계산하였다 다양한 계간 방법으로 결과를 비교하였는데 최적화된 구조는 선형구조와 중심축을 기준해서 약 20도 휜 구조였다. 이미 연구되어진 H_(2)…H_(2)의 결과와 비교해 보았다. The H_(2)…CO is a weakly bound van der Waals complex like H_(2)…H_(2). The low resolution spectra of the dimer was previously reported by Mckellar et. al.. However, the structure of the dimer is not finalized yet. In this study, the possible structures are studied with DFT, MP2 and high level calculations. The minimum energy, optimized geometry, and vibrational frequencies are also calculated. Results of various calculations are compared each other. The collinear and bent conformation are three possible optimal structure. The results from previous study on molecular hydrogen dimer were also compared.

Myocardial Rotation and Torsion in Child Growth

김창신,박소라,은영민 한국심초음파학회 2016 Journal of Cardiovascular Imaging (J Cardiovasc Im Vol.24 No.3

Background: The speckle tracking echocardiography can benefit to assess the regional myocardial deformations. Although,previous reports suggested no significant change in left ventricular (LV) torsion with aging, there are certain differences in LV rotationat the base and apex. The purpose of this study was to evaluate the change and relationship of LV rotation for torsion withaging in children. Methods: Forty healthy children were recruited and divided into two groups of twenty based on whether the children were preschool-age (2–6 years of age) or school-age (7–12 years of age). After obtaining conventional echocardiographic data, apical and basalshort axis rotation were assessed with speckle tracking echocardiography. LV rotation in the basal and apical short axis planes wasdetermined using six myocardial segments along the central axis. Results: Apical and basal LV rotation did not show the statistical difference with increased age between preschool- and schoolagechildren. Apical radial strain showed significant higher values in preschool-age children, especially at the anterior (52.8 ±17.4% vs. 34.7 ± 23.2%, p < 0.02), lateral (55.8 ± 20.4% vs. 36.1 ± 22.7%, p < 0.02), and posterior segments (57.1 ± 17.6% vs. 38.5 ± 21.7%, p < 0.01). The torsion values did not demonstrate the statistical difference between two groups. Conclusion: This study revealed the tendency of higher rotation values in preschool-age children than in school-age children. The lesser values of rotation and torsion with increased age during childhood warrant further investigation.

도시개발과 도시인사행정 서울시 동행정과 인력관리

김창신 대한지방행정공제회 1977 도시문제 Vol.12 No.2

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Quantum Mechanical Study of van der Waals Complex. Ⅰ.The $H^2$ Dimer Using the DFT and the Multi-Coefficient G2/G3 Methods

김창신,김상준,이용식,김용호,Kim, Chang Sin,Kim, Sang Jun,Lee, Yong Sik,Kim, Yong Ho Korean Chemical Society 2000 Bulletin of the Korean Chemical Society Vol.21 No.5

Molecular hydrogen dimer, ($H_2)_2$ is a weakly bound van der Waals complex. The configuration of two hydrogen molecules and the potential well structure of the dimer have been the subjects of various studies among chemists and astrophysicists. In this study, we used DFT, MCG2, and MCG3 methods to determine the structure and energy of the molecular hydrogen dimer. We compared the results with previously reported ab initio method results. The ab initio results were also recalculated for comparison. All optimized geometries obtained from the MP2 and DFT methods are T-shaped. The H-H bond lengths for the dimer are almost the same as those of monomer. The center-to-center distance depeds on the levels of theory and the size of the basis sets. The bond lengths of the $H_2$ molecule from the MCG2 and MCG3 methods are shown to be in excellent agreement with the experimental value. The geometry of optimized dimer is T-shaped, and the well depths for the dimerization potential are very small, being 23 $cm-^1$ and 27 $cm-^1$ at the MCG2 and MCG3 levels, respectively. In general the MP2 level of theory predicts stronger van der Waals than the DFT, and agrees better with the MCG2 and MCG3 theories.

공공청사의 효율적 조성을 위한 건축디자인 기준 설정 연구

김창신,동재욱,이화룡 한국디지털건축·인테리어학회 2013 한국디지털건축인테리어학회 논문집 Vol.13 No.1

The purpose of this study is to propose the reasonable method for effective public building construction process. Public building service administration is necessary to make efficient public building supply and demand program. As a result, current public building precess need four steps(organize public assets, various process, establish public building service administration, design criteria). 1. Planning phase : Participation of Private Experts is guaranteed to enhance public building's function such as welfare, entertainment. 2. Design Phase : Detailed design review makes efficient and user oriented public building. 3. Construction Phase : Public Architect solve various problems among the participator especially in case of government local building construction. In conclusion, well formulated design criteria and Public building service administration make public building efficient in various field.

時空의 變化를 중심으로 金鰲新話를 살핌(1) : 金鰲新話의 循環構造 考察(2)

김창신 慶熙大學校 文理科大學 國語國文學會 1997 慶熙語文學 Vol.17 No.-

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위성전자표지와 해양환경자료를 이용한 방어(Seriola quinqueradiata) 이동경로 추적 연구

김창신,양지관,강수진,이승종,강수경 한국수산과학회 2021 한국수산과학회지 Vol.54 No.5

Yellowtail Seriola quinqueradiata tagged with a Pop-up Satellite Archival Tag (PSAT) was released off the coast of near the Moseulpo, Jeju Island and the ecological data during about 40 days was obtained. However, it is difficult to determine the spatial location of underwater ecological data. To improve the accuracy of estimating the Yellowtail migration route using temperature, suitable background field of the oceanic environment data was evaluated and used for input data. After developing of the tracking algorithm for migration route estimation, three experiment cases were estimated with ecological data among the surface layer, the mixed layer, and the whole water column. All tracking experiments move from western to eastern Jeju Island. Additionally, tracking experiment using 3D ocean numerical model reveal that it is possible to estimate the migration route using the fish ecological data of the entire water column. Therefore, using a large number of ecological data and a high-accuracy ocean numerical model to estimate the migration route seems to be a way to increase the accuracy of the tracking experiment. Moreover, the tracking algorithm of this study can be applied to small pelagic fishery using small archival electronic tags to track the migration route.