| 56821 | Density Functional Theory Assessment of Molecular Structures and Energies of Neutral and Anionic Aln (n=2-10) Clusters Paranthaman, Selvarengan; Hong, Kiryong; Kim, Joonghan; Kim, Dong Eon; Kim, Tae Kyu, JOURNAL OF PHYSICAL CHEMISTRY A, v.117, no.38, pp.9293 - 9303, 2013-09 |
| 56822 | Density functional theory based modeling and quantum transport simulations on uniaxially strained black phosphorus FETs = 단축 변형된 흑린 구조에 대한 밀도 범함수 기반 모델링 및 양자 수송 시뮬레이션link Jung, Sungwoo; Shin, Mincheol; et al, 한국과학기술원, 2018 |
| 56823 | Density functional theory based simulations of silicon nanowire field effect transistors Shin, Mincheol; Jeong, Woo Jin; Lee, Jaehyun, JOURNAL OF APPLIED PHYSICS, v.119, no.15, pp.154505-1 - 154505-10, 2016-04 |
| 56824 | Density functional theory based study of biaxially strained ferroelectric materials and applications to negative capacitance FETs = 이축 변형된 강유전체 물질에 대한 밀도 범함수 기반 연구 및 NCFET 소자 시뮬레이션에의 응용link Kim, Moon-Hoi; Shin, Mincheol; et al, 한국과학기술원, 2019 |
| 56825 | Density functional theory based study of effects of heterojunction and oxide interface traps on III-V FETs = III-V 이종접합 및 옥사이드 계면 트랩의 영향에 대한 제일원리 기반의 모델링 및 소자 시뮬레이션link Cho, Yucheol; Shin, Mincheol; et al, 한국과학기술원, 2020 |
| 56826 | Density functional theory calculations for simple prototypes of perfluorocarbons: neutral and anionic c-C4F8 and 2-C4F8 Choi, Heechol; Park, Young Choon; Lee, Yoon Sup; Baeck, Kyoung Koo, JOURNAL OF FLUORINE CHEMISTRY, v.146, pp.46 - 52, 2013-02 |
| 56827 | Density functional theory close to chemical accuracy for thermochemistry and dispersion interactions Jung, Yousung, The 16th East Asian Workshop on Chemical Dynamics, National Tsing Hua University, 2012-04-18 |
| 56828 | Density functional theory for accurate potential energy surfaces. Kim, Woo Youn, The international chemical congress of Pacific basin societies 2015, Pacifichem, Inc., 2015-12-18 |
| 56829 | Density functional theory for electrochemical energy storage 정유성, 제 116차 대한화학회 물리화학분과 하계 심포지움, 대한화학회, 2014-06-26 |
| 56830 | Density functional theory for electrochemical energy storage: Insights into the cathode materials 정유성, KIST Battery Workshop, KIST, 2015-02-13 |
| 56831 | Density functional theory in classical explicit solvents: Mean-field QM/MM method for simulating solid-liquid interfaces Jang, Taehwan; Paik, Dooam; Shin, Seung-Jae; Kim, Hyungjun, BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.43, no.4, pp.476 - 483, 2022-04 |
| 56832 | Density functional theory plus dynamical mean-field theory with natural atomic orbital projectors Sim, Jae-Hoon; Han, Myung Joon, PHYSICAL REVIEW B, v.100, no.11, pp.115151, 2019-09 |
| 56833 | Density Functional Theory Studies of NO and NO2 Adsorption on Al2O3 Supported SnO2 Cluster Liu, Zhiming; Li, Junhua; Woo, Seong Ihl; Hu, Hao, CATALYSIS LETTERS, v.143, no.9, pp.912 - 918, 2013-09 |
| 56834 | Density Functional Theory Studies of Oxygen Affinity of Small Au Nanoparticles Ha, Hyunwoo; Shin, Kihyun; Kim, Hyun You, KOREAN JOURNAL OF MATERIALS RESEARCH, v.27, no.4, pp.229 - 235, 2017-04 |
| 56835 | Density functional theory studies of the [2]Rotaxane component of the Stoddart-Heath molecular switch Jang, YH; Hwang, SG; Kim, Yong-Hoon; Jang, SS; Goddard, WA, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.126, no.39, pp.12636 - 12645, 2004-10 |
| 56836 | Density functional theory studies of TiO2 for photocatalysis and Li storage applications Kim, Yong-Hoon; Choi Ji Il; Lee Dong Ki; Lee Gyu Heon; Kang Jeung Ku, APS March Meeting 2017, American Physical Society, 2017-03-15 |
| 56837 | Density functional theory studies on electrochemical CO2 activation pathways under solvation effect = 밀도범함수 이론을 활용한 용매화 효과 내에서의 이산화탄소 활성화 반응 경로 연구link Lim, Hyung-Kyu; 임형규; et al, 한국과학기술원, 2014 |
| 56838 | Density functional theory study of acetonitrile - Water clusters: Structures and infrared frequency shifts Ahn D.-S.; Lee S., BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.28, no.5, pp.725 - 729, 2007-05 |
| 56839 | Density functional theory study of catalytic reaction at interfacial boundaries and molecular dynamics study on relaxations in viscous fluids = 밀도범함수 이론을 통한 계면 촉매 반응 연구 및 점성 유체 내 동적 완화에 대한 분자동력학 연구link Kim, Kang-Sahn; Lee, Eok Kyun; et al, 한국과학기술원, 2019 |
| 56840 | Density Functional Theory Study of Competitive Reaction Pathways of Ti+ with Fluorinated Acetone in the Gas Phase Hong, Kiryong; Kim, Tae Kyu, JOURNAL OF THE KOREAN CHEMICAL SOCIETY-DAEHAN HWAHAK HOE JEE, v.56, no.1, pp.14 - 19, 2012-02 |
