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化學敎育을 위한 SERAPHIM PROJECT에 관한 硏究
김자홍,양정애 全北大學校 科學敎育硏究所 1990 과학과 과학교육 논문지 Vol.15 No.-
The computational impact of all chemistry education field has been made at secondary school to promote self-paced learning by computer assisted instruction (CAI) or computer managed instruction (CMI) in recent year. In this study, we report that a desirable direction and the sequence have been analyzed the SERAPHIM projects. The results suggest that SERAPHIM software brought better understanding to embody science content.
Manganese Zinc Ferrite의 반응속도론적 연구
김자홍 全北大學校 1975 論文集 Vol.17 No.-
The rate constants for the Manganese-Zinc Ferrite formation were X-ray diffractionally determined and the activation thermodynamic parameter were also evaluated. In result, plots of log I/(I-I') vs time for the reaction of Mn·Zn Ferrite formation showed the straight lines. The activation energy has given as about 25Kcal/mole, which suggests that the reaction proceeds via the dispersion mechanism.
여러자리 아민리간드의 염기도에 대한 이중심 Huckel 법의 응용
김자홍,이계수,Kim, Ja Hong,Lee Kae Soo 대한화학회 1978 대한화학회지 Vol.22 No.5
여러자리 아민리간드에 대해서 이중심 Huckel법의 계산으로 양성자 첨가과정에서 전자에너지 변화와 전자밀도를 논의 하였다. 계산된 ${\Delta}E_{\sigma}$ 및 $q_N,\;q_H$ 값과 실측치 pKb값으로서 여러자리 아민리간드는 trien > en > gly > dien순으로 안정도가 증가함을 보여주었다. The change of the electron densities of polydentate amine ligands in the reaction of protonation are discussed on the basis of the calculation by Two Center Huckel method. From results, such as ${\Delta}E_{\sigma}$, $q_N,\;q_H$ , and observed pKb, it is concluded that the stabilities of polydentate amine ligands are in the order of trien > en > gly > dien.
김자홍,이병운 全北大學校 敎育大學院 1981 敎育論叢 Vol.1 No.-
환경과학교육에 대한 태도와 교수방법에 대하여 설문지법으로 393명의 반응을 얻었다. 환경과학교육을 다른 교과목에 추가하여 다루게 될 경우 현재 실시되고 있는 교과과정에서 관련요소를 추출하고 교과목표 및 개념체계를 수립하였다. The attitude and science teaching toward the environmental science education have been surveyed by the questionaire method collected from 393 teachers. As a new subject to be added to other disciplines, in which case its objectives and concept systems were established, and the elements which is related to their contents in current secondary school science curriculum were infused.
Co(Ⅲ) Mixed Amino Acid 착물의 치환반응기구에 관한 연구
김자홍 全北大學校 師範大學 1975 사대논문집 Vol.1 No.-
Complexes of the formulation [Co(en)_2(NH_2R)Cl]Cl_2, where R is NH_3, NH_2CH_3, NH_2CH_2 COOH, NH_2CH_2CO_2CH_3, were calculated by the Two Center Hu¨cker method for the electronic structure. On the basis of the Crystal Field Theory, the author interpreted substitution reaction using empirical parameter 10Dq. The Crystal Field Activation Energy in determing the reaction rates of [Co(en)_2(NH_2R)]Cl_2 used to reveal substitution mechanism in a qualitative way.
Phenylcyclohexylamine의 정량적 구조-작용 상관관계에 관한 연구
김자홍,손성호,양기수,홍성완,Kim, Ja Hong,Sohn, Sung Ho,Yang, Kee Soo,Hong, Sung Wan 대한화학회 1998 대한화학회지 Vol.42 No.4
Phenylcyclohexylamine과 dexoxadrol에 대한 정량적 구조-작용 상관관계에 관한 계산을 반경험적 분자궤도법인 PM3와 Hyper Chem 프로그램을 이용하여 수행하였다. 19개의 PCA 유도체들의 프론티어 오비탈 크기와 LogP 값은 운동에 영향을 미치는 독성과 MES 발작 실험에서 $MES\;ED_{50}$과 $TD_{50}$을 예측하는 좋은 매개 변수라는 사실을 알았다. A Quantitative Structure-Activity Relationship of 1-phenylcyclohexyl amine(PCA) and dexoxadral as a receptor has been investigated using semiempirical PM3 MO and Hyper Chem calculation. A set of 19 analogues of PCA was chosen for the study using a selection procedure aimed at minimizing the interparameter correlations, while ensuring that the frontier orbital covered the maximum possible range of LogP. The results show that the FOS and LogP is a good structural parameter to predict the maximum electroshock effective dose ($MES\;ED_{50}$) and toxicity dose ($TD_{50}$) for PCA derivatives.
金子弘,金滄烈 全北大學校 1980 論文集 Vol.22 No.-
The electronic structure of 7,12-dimethylbenzanthracene, dibenzcarbazole has been carried out by using the FMO method. On the basis of theoretical calculations, it has been proposed a optimum value of indices (0.5) which corresponds to the sum of frontier electron density. The results have been supported by explaining the carcinogenic activity.
Benzologous Pyridine계 리간드의 반응성에 대한 HMO의 응용 (제1보)
김자홍,이계수,Kim Ja-Hong,Lee Gae-Soo 대한화학회 1979 대한화학회지 Vol.23 No.2
Benzolgous pyridine계 리간드에 대한 전자상태와 반응성을 조사하기 위하여 단순 Huckel 분자궤도법을 이용하여 프론티어궤도함수의 에너지상태 및 superdelocalizability와 전하밀도를 계산하였다. 리간드의 최고 점유궤도함수와 최저비점유궤도함수사이에 에너지차인 ${\Delta}E_{\pi}$ 값에 대한 계산결과로부터 착물을 형성하는 리간드의 안정도 순위는 1,10-Phen > 4,5-Phen > 1,5-Phen > 8-Hox > Hox-azolinato순으로 나타났으며, 리간드의 superdelocalizability와 전하밀도로서 친적자적, 친핵적 및 라디칼반응에 대한 반응성과 결합강도를 각각 조사하였다. The frontier orbital energy, superdelocalizability and charge density of a series of benzologous pyridine ligands have been calculated by using HMO. According to ${\Delta}E_{\pi}$ of ligands on the basis of the above results, it is concluded that the stabilities are in the order of 1,10-Phen > 4,5-Phen > 1,5-Phen > 8-Hox > Hox-azoquinolinato. And also, the reactivities of electrophilic, nucleophilic and radical reaction, and bond strength have been respectively studied by superdelocalizabilities and charge densities.