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

• Park, Ha-Yan;Park, Hong-Lae;Chung, Yong-Chae
• • Proceedings of the Korean Vacuum Society Conference
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  • 2009.08a
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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
• • Proceedings of the Korean Vacuum Society Conference
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  • 2009.08a
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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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  • v.32 no.2
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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.
• • Proceedings of the Korean Vacuum Society Conference
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  • 2003.08a
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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
• • Proceedings of the Korean Magnestics Society Conference
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  • 2007.12a
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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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  • v.25 no.6
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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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  • v.25 no.10
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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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  • v.29 no.12
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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
• • Proceedings of the Korean Magnestics Society Conference
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  • 2015.11a
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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

• Gang, Ki-Seok;Ceder, Gerbrand;Meng, Ying Shirley;Grey, Clare P.;Breger, Julien
• • Proceedings of the Materials Research Society of Korea Conference
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  • 2008.05a
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  • pp.5.1-5.1
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  • 2008
• PDF

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