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Density functional theory study of CH4 and CO2 adsorption by fluorinated graphene
Doh Gyu Hwang, Euigyung Jeong, Seung Geol Lee 한국탄소학회 Carbon Letters 5 Pages
한국탄소학회 Carbon Letters 2016, Vol.20 13 81-85 (5 pages)
Phenomena related to global warming have been of particular interest among researchers, strongly encouraging them to identify various methods of adsorbing contributing gases, such as CH4 and CO2 [1,2]. Many adsorbents have been widely proposed and studied to remove greenhouse gases from the atmosphere and protect the environment [3,4]. Carbon-based materials for adsorption are an intriguing subject owing to their very high specific surface area, low weight, and elasticity [5,6]. Among various... -
Mechanisms of Na adsorption on graphene and graphene oxide: density functional theory approach
Hye Sook Moon, Ji Hye Lee, Soonchul Kwon, Il Tae Kim, Seung Geol Lee 한국탄소학회 Carbon Letters 5 Pages
한국탄소학회 Carbon Letters 2015, Vol.16 No.2 7 116-120 (5 pages)
in sodium ion batteries, using density functional theory. The adsorption energy for Na on graphene was -0.507 eV at the hollow sites, implying that adsorption was favorable. In the case of graphene oxide, Na atoms were separately adsorbed on the epoxide and hydroxyl functional groups. The adsorption of Na on graphene oxide-epoxide (adsorption energy of -1.024 eV) was found to be stronger than the adsorption of Na on pristine graphene. However, the adsorption of Na on graphene oxide-hydroxyl... -
Density Functional Theory를 이용한 Si (001) 표면 위의 In 나노선 성장 연구
김대현, 김대희, 서화일, 김영철, Kim. Dae-Hyun, Kim. Dae-Hee, Seo. Hwa-Il, Kim. Yeong-Cheol 한국재료학회 한국재료학회지 5 Pages
한국재료학회 한국재료학회지 2009, Vol.19 No.3 137-141 (5 pages)
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Density Functional Theory (DFT)를 이용한 Tetragonal-Ni1-xPdxSi/Si (001)의 구조 연구
김대희, 서화일, 김영철, Kim. Dae-Hee, Seo. Hwa-Il, Kim. Yeong-Cheol 한국재료학회 한국재료학회지 4 Pages
한국재료학회 한국재료학회지 2008, Vol.18 No.9 482-485 (4 pages)
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Density Functional Theory를 이용한 CaO 안정화 Cubic-HfO2의 산소 공공 구조 연구
김종훈, 김대희, 이병언, 황진하, 김영철, Kim. Jong-Hoon, Kim. Dae-Hee, Lee. Byeong-Eon, Hwang. Jin-Ha, Kim. Yeong-Cheol 한국재료학회 한국재료학회지 5 Pages
한국재료학회 한국재료학회지 2008, Vol.18 No.12 673-677 (5 pages)
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Electronic Structure of [NiS4]- Investigated by Single-Crystal EPR and Density Functional Theory
Min. Su-Young, Noh. Dong-Youn, Choi. Cheol-Ho, Lee. Hong-In 한국자기공명학회 Journal of the Korean magnetic resonance society 13 Pages
한국자기공명학회 Journal of the Korean magnetic resonance society 2012, Vol.16 No.1 78-90 (13 pages)
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Structures and Spectroscopic Properties of Dicyanoacetylene and Isomers: Density Functional Theory Study
전인선, 박성우, 이성렬, Jeon. In-Sun, Park. Sung-Woo, Lee. Sung-Yul 대한화학회 대한화학회지 9 Pages
대한화학회 대한화학회지 2004, Vol.48 No.6 568-576 (9 pages)
디시아노아세틸렌 및 그 이성체들에 대하여 밀도함수이론을 적용하였다. 구조 및 조화진동수를 계산하여 여러 가지의 이성체 구조를 예측하였고, 그 상대에너지를 비교하여 열역학적 안정성을 추정하였다. -
Density Functional Theory (DFT) Study of Gas-phase O.C Bond Dissociation Energy of Models for o-TEMPO-Bz-C(O)-Peptide: A Model Study for Free Radical Initiated Peptide Sequencing
Kwon. Gyemin, Kwon. Hyuksu, Lee. Jihye, Han. Sang Yun, Moon. Bongjin, Oh. Han Bin, Sung. Bong June 대한화학회 Bulletin of the Korean Chemical Society 5 Pages
대한화학회 Bulletin of the Korean Chemical Society 2014, Vol.35 No.3 770-774 (5 pages)
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Influence of Exchange-Correlation Functional in the Calculations of Vertical Excitation Energies of Halogenated Copper Phthalocyanines using Time-Dependent Density Functional Theory (TD-DFT)
Lee. Sang Uck 대한화학회 Bulletin of the Korean Chemical Society 5 Pages
대한화학회 Bulletin of the Korean Chemical Society 2013, Vol.34 No.8 2276-2280 (5 pages)
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Raman Spectroscopy and Density Functional Theory Calculations of β-Glucans and Chitins in Fungal Cell Walls
Lee. Cheol Min, Cho. Eun-Min, Yang. Sung Ik, Ganbold. Erdene-Ochir, Jun. Jehoon, Cho. Kwang-Hwi 대한화학회 Bulletin of the Korean Chemical Society 3 Pages
대한화학회 Bulletin of the Korean Chemical Society 2013, Vol.34 No.3 943-945 (3 pages)
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Time-Dependent Density Functional Theory Study on Cyclopentadithiophene-Benzothiadiazole-Based Push-Pull-Type Copolymers for New Design of Donor Materials in Bulk Heterojunction Organic Solar Cells
Ku. Ja-Min, Kim. Dae-Kyun, Ryu. Taek-Hee, Jung. Eun-Hwan, Lansac. Yves, Jang. Yun-Hee 대한화학회 Bulletin of the Korean Chemical Society 8 Pages
대한화학회 Bulletin of the Korean Chemical Society 2012, Vol.33 No.3 1029-1036 (8 pages)
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Density Functional Theory Study on Triphenylamine-based Dye Sensitizers Containing Different Donor Moieties
Xu. Jie, Wang. Lei, Liang. Guijie, Bai. Zikui, Wang. Luoxin, Xu. Weilin, Shen. Xiaolin 대한화학회 Bulletin of the Korean Chemical Society 6 Pages
대한화학회 Bulletin of the Korean Chemical Society 2010, Vol.31 No.9 2531-2536 (6 pages)
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A Density Functional Theory Investigation on Intramolecular Hydrogen Transfer of the [Os3(CO)11P(OMe)3(Ru(η5-C5H5))2] Cluster
Buntem. Radchada, Punyain. Kraiwan, Tantirungrotechai. Yuthana, Raithby. Paul R., Lewis. Jack 대한화학회 Bulletin of the Korean Chemical Society 7 Pages
대한화학회 Bulletin of the Korean Chemical Society 2010, Vol.31 No.4 934-940 (7 pages)
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Molecular Dynamics Simulation and Density Functional Theory Investigation for Thiacalix[4]biscrown and its Complexes with Alkali-Metal Cations
Hong. Joo-Yeon, Lee. Che-Wook, Ham. Si-Hyun 대한화학회 Bulletin of the Korean Chemical Society 4 Pages
대한화학회 Bulletin of the Korean Chemical Society 2010, Vol.31 No.2 453-456 (4 pages)
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Spin-Orbit Density Functional Theory Calculations for TlAt with Relativistic Effective Core Potentials
Choi. Yoon-Jeong, Bae. Cheol-Beom, Lee. Yoon-Sup, Lee. Sang-San 대한화학회 Bulletin of the Korean Chemical Society 3 Pages
대한화학회 Bulletin of the Korean Chemical Society 2003, Vol.24 No.6 728-730 (3 pages)
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Tautomers and Acid Dissociation Constants of 6-Selenoguanine from Density Functional Theoretical Calculations
Kim. Yong-Seong, Jang. Yun-Hee, Cho. Hyun, Hwang. Sun-Gu 대한화학회 Bulletin of the Korean Chemical Society 4 Pages
대한화학회 Bulletin of the Korean Chemical Society 2010, Vol.31 No.10 3013-3016 (4 pages)
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Density Functional Theoretical Study on Intermolecular Interactions of 3,6-Dihydrazino-1,2,4,5-tetrazine Dimers
Hu. Yin, Ma. Hai-Xia, Li. Jun-Feng, Gao. Rong, Song. Ji-Rong 대한화학회 Bulletin of the Korean Chemical Society 6 Pages
대한화학회 Bulletin of the Korean Chemical Society 2010, Vol.31 No.10 2897-2902 (6 pages)
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High-energy-density activated carbon electrode for organic electric-double-layer-capacitor using carbonized petroleum pitch
Poo Reum Choi, Sang-Gil Kim, Ji Chul Jung, Myung-Soo Kim 한국탄소학회 Carbon Letters 11 Pages
한국탄소학회 Carbon Letters 2017, Vol.22 8 70-80 (11 pages)
double-layer capacitors (EDLC) due to their high specific surface areas (SSA), stability, and ecological advantages. In order to make high-energy-density ACs for EDLC, petroleum pitch (PP) precarbonized at 500?1000°C in N2 gas for 1 h was used as the electrode material of the EDLC after KOH activation. As the pre-carbonization temperature increased, the SSA, pore volume and gravimetric capacitance tended to decrease, but the crystallinity and electrode density tended to increase, showing a... -
한국 선사고고학의 방법론적 전망
안승모 한국고고학회 한국고고학전국대회 발표문 22 Pages
한국고고학회 한국고고학전국대회 발표문 제38회 한국고고학대회 1 31-52 (22 pages)
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Effect of canine mesenchymal stromal cells overexpressing heme oxygenase-1 in spinal cord injury
Seung Hoon Lee, Yongsun Kim, Daeun Rhew, Ahyoung Kim, Kwang Rae Jo, Yongseok Yoon, Kyeung Uk Choi, Taeseong Jung, Wan Hee Kim, O 대한수의학회 Journal of Veterinary Science 10 Pages
대한수의학회 Journal of Veterinary Science 2017, 제 18권 제 3호 15 377-386 (10 pages)
8 weeks after transplantation, after which histopathological, immunofluorescence, and western blot analyses were performed. The MSC-HO-1 group showed significantly improved functional recovery at 7 weeks after transplantation. Histopathological results showed fibrotic changes and microglial cell infiltration were significantly decreased in the MSC-HO-1 group. Immunohistochemical (IHC) results showed significantly increased expression levels of HO-1 and neuronal markers in the MSC-HO-1 group.... -
Effects of aluminum on the reduction of neural stem cells, proliferating cells, and differentiating neuroblasts in the dentate gyrus of D-galactose-treated mice via increasing oxidative stress
Sung Min Nam, Jong Whi Kim, Dae Young Yoo, Woosuk Kim, Hyo Young Jung, Jung Hoon Choi, In Koo Hwang, Je Kyung Seong, Yeo Sung Yo 대한수의학회 Journal of Veterinary Science 10 Pages
대한수의학회 Journal of Veterinary Science 2016, 제 17권 제 2호 1 127-136 (10 pages)
Aluminum (Al) accumulation increases with aging, and long-term exposure to Al is regarded as a risk factor for Alzheimer’s disease. In this study, we investigated the effects of Al and/or D-galactose on neural stem cells, proliferating cells, differentiating neuroblasts, and mature neurons in the hippocampal dentate gyrus. AlCl3 (40 mg/kg/day) was intraperitoneally administered to C57BL/6J mice for 4 weeks. In addition, vehicle (physiological saline) or D-galactose (100 mg/kg) was...
