Structural Effect of $LaAlO_3/SrTiO_3$ Interface on Electronic Properties: Ab-initio Calculations

• Park, Ha-Yan;Park, Hong-Lae;Chung, Yong-Chae
• • 한국진공학회:학술대회논문집
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  • 한국진공학회 2009년도 제37회 하계학술대회 초록집
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  • pp.108-108
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  • 2009
• PDF

Ab initio Study of the Structural and Electronic Properties of HAT-CN/metal interfaces for OLED Applications

• Kim, Ji-Hoon;Park, Young-Sup;Kwon, Young-Kyun
• • 한국진공학회:학술대회논문집
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  • 한국진공학회 2009년도 제37회 하계학술대회 초록집
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  • pp.333-333
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  • 2009
• PDF

Ab initio Study of the Transition State of Direct Isomerization from ClOCl to ClClO on the S₀ and S₁ State

• An, Hee-Sun;Lee, Kun-Hye;Baeck, Kyoung-Koo
• • Bulletin of the Korean Chemical Society
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  • 제32권2호
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  • pp.701-704
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  • 2011
• https://doi.org/10.5012/bkcs.2011.32.2.701 인용 PDF KSCI

Curvature effect on Carbon nanotube energy : Ab-initio calculation by cluster design

• Ahn, H.-S.;Lee, S.-C.;Lee, K.-R.;Kim, D.-Y.
• • 한국진공학회:학술대회논문집
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  • 한국진공학회 2003년도 제25회 학술발표회 초록집
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  • pp.165-165
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  • 2003
• PDF

Magnetism of Tetragonal Distorted ${\alpha}$-Mn: Ab Initio Density Functional Study

• Yun, Won-Seok;Hwang, Young-Hun;Cho, Sung-Lae;Hong, Soon-Cheol
• • 한국자기학회:학술대회 개요집
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  • 한국자기학회 2007년도 동계학술연구발표회 및 스핀트로닉스와 나노물리에관한 국제심포지움
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  • pp.182-183
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  • 2007
• PDF

Intersystem Electron-Transfer in Di-hydrated Iodide Anion

• Park, Jung-Mee;Lee, Han-Myoung
• • Bulletin of the Korean Chemical Society
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  • 제25권6호
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  • pp.937-940
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  • 2004
• https://doi.org/10.5012/bkcs.2004.25.6.937 인용 PDF KSCI

Substituent Effects on the Diimide Reduction of Dienes: Relative Reactivity of two Olefin Centers with a Differently Substituted Derivative

• Ra, Choon-Sup;Park, Gyoo-Soon
• • Bulletin of the Korean Chemical Society
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  • 제25권10호
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  • pp.1463-1464
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  • 2004
• https://doi.org/10.5012/bkcs.2004.25.10.1463 인용 PDF KSCI

DFT Calculation on the Stereochemistry of the Allylic Oxidation. Selenium Dioxide-Mediated Oxidation of an Exocyclic Olefinic Hydrindane Compound

• Ra, Choon-Sup;Park, Eun-Mook;Park, Gyoo-Soon
• • Bulletin of the Korean Chemical Society
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  • 제29권12호
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  • pp.2513-2516
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  • 2008
• https://doi.org/10.5012/bkcs.2008.29.12.2513 인용 PDF KSCI

Full ab initio calculations of non-adiabatic electron-atom coupled dynamics

• Shin, Dongbin;Park, Noejung
• • 한국자기학회:학술대회 개요집
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  • 한국자기학회 2015년도 자성 및 자성재료 국제학술대회
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  • pp.156-156
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  • 2015
• PDF

Design of electrode materials for Li rechargeable batteries by integrating ab initio calculations with experiments

• 강기석
• • 한국재료학회:학술대회논문집
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  • 한국재료학회 2008년도 춘계학술발표대회 및 제14회 신소재 심포지엄
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  • pp.5.1-5.1
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  • 2008
• PDF

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