Fragment-orbital tunneling currents and electronic couplings for analysis of molecular charge-transfer systemsElectronic supplementary information (ESI) available: The grid-radius tests of the electronic coupling of a hydrogen-atom dimer with different basis sets; the electronic coupling calculations of HAB7 with the neutral fragments; the grid-radius test of the electronic coupling of the cyclopropene dimer with 3.5 Å separation. See DOI: 10.1039/c8cp00266e
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Efficient structural elucidation of microhydrated biomolecules through the interrogation of hydrogen bond networksElectronic supplementary information (ESI) available: Results of the hydrogen bond network analysis of amino-acid water clusters, Cartesian coordinates of microhydrated glycine and tyrosine structures optimized at the DFT level. See DOI: 10.1039/c7cp08372f
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Efficient prediction of reaction paths through molecular graph and reaction network analysisElectronic supplementary information (ESI) available: Detailed information on reaction networks and pathways for two example reactions, Cartesian coordinates of molecules in the reaction networks obtained at the DFT level for the hydroformylation example, and conformers and isomers of the intermediates in the Heck-Breslow mechanism. See DOI: 10.1039/c7sc03628k
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Efficient prediction of reaction paths through molecular graph and reaction network analysis† †Electronic supplementary information (ESI) available: Detailed information on reaction networks and pathways for two example reactions, Cartesian coordinates of molecules in the reaction networks obtained at the DFT level for the hydroformylation example, and conformers and isomers of the intermediates in the Heck–Breslow mechanism. See DOI: 10.1039/c7sc03628k
Kim, Yeonjoon, Kim, Jin Woo, Kim, Zeehyo, Kim, Woo Youn
Published in Chemical science (Cambridge) (12.12.2017)
Published in Chemical science (Cambridge) (12.12.2017)
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Composition-Controlled PtCo Alloy Nanocubes with Tuned Electrocatalytic Activity for Oxygen Reduction
Choi, Sang-Il, Lee, Su-Un, Kim, Woo Youn, Choi, Ran, Hong, Kwangwoo, Nam, Ki Min, Han, Sang Woo, Park, Joon T
Published in ACS applied materials & interfaces (28.11.2012)
Published in ACS applied materials & interfaces (28.11.2012)
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Bicyclic Bridgehead Phosphoramidite (Briphos) Ligands with Tunable π‑Acceptor Ability and Catalytic Activity in the Rhodium-Catalyzed Conjugate Additions
Lee, Ansoo, Ahn, Seihwan, Kang, Kyungjun, Seo, Min-Seob, Kim, Yeonjoon, Kim, Woo Youn, Kim, Hyunwoo
Published in Organic letters (17.10.2014)
Published in Organic letters (17.10.2014)
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Effects of the locality of a potential derived from hybrid density functionals on Kohn-Sham orbitals and excited states
Kim, Jaewook, Hong, Kwangwoo, Hwang, Sang-Yeon, Ryu, Seongok, Choi, Sunghwan, Kim, Woo Youn
Published in Physical chemistry chemical physics : PCCP (12.04.2017)
Published in Physical chemistry chemical physics : PCCP (12.04.2017)
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Importance of local exact exchange potential in hybrid functionals for accurate excited states
Kim, Jaewook, Hong, Kwangwoo, Sang-Yeon Hwang, Ryu, Seongok, Choi, Sunghwan, Woo Youn Kim
Published in arXiv.org (28.10.2016)
Published in arXiv.org (28.10.2016)
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Paper
Journal Article
Performance of heterogeneous computing with graphics processing unit and many integrated core for hartree potential calculations on a numerical grid
Choi, Sunghwan, Kwon, Oh-Kyoung, Kim, Jaewook, Kim, Woo Youn
Published in Journal of computational chemistry (15.09.2016)
Published in Journal of computational chemistry (15.09.2016)
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Journal Article
Circular arrayed perforated tube system for taking root of a tree
HUR, CHAN HEANG, SHIN, HAK HO, SUH, SANG WON, CHOI, IN CHOUL, KIM, YOUN WOO, KANG, GI WON, BAK, UNG GYU, HWANG, AE MIN
Year of Publication 23.11.2016
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Year of Publication 23.11.2016
Patent
Quantum transport properties of single-crystalline Ag 2 Se 0.5 Te 0.5 nanowires as a new topological material
Kim, Minjin, Kim, Jihwan, Lee, In-Ho, Han, Woo Hyun, Park, Yun Chang, Kim, Woo Youn, Kim, Bongsoo, Suh, Junho
Published in Nanoscale (21.03.2019)
Published in Nanoscale (21.03.2019)
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Holistic Approach to the Mechanism Study of Thermal Degradation of Organic Light-Emitting Diode Materials
Kim, Jin Woo, Kim, Joonghyuk, Kim, Jaewook, Chwae, Jun, Kang, Sungwoo, Jeon, Soon Ok, Son, Won-Joon, Choi, Hyeonho, Choi, Byoungki, Kim, Sunghan, Kim, Woo Youn
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.11.2020)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.11.2020)
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Journal Article
Noncovalent Interactions of DNA Bases with Naphthalene and Graphene
Cho, Yeonchoo, Min, Seung Kyu, Yun, Jeonghun, Kim, Woo Youn, Tkatchenko, Alexandre, Kim, Kwang S
Published in Journal of chemical theory and computation (09.04.2013)
Published in Journal of chemical theory and computation (09.04.2013)
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Journal Article
Effects of the locality of a potential derived from hybrid density functionals on Kohn-Sham orbitals and excited statesElectronic supplementary information (ESI) available: The atomization energy calculation result; excitation energy calculation results (orbital energy gap and TDDFT) from PBE0KLI, PBE0HF, and BH&H (KLI) for the Caricato set. See DOI: 10.1039/c7cp00704c
Kim, Jaewook, Hong, Kwangwoo, Hwang, Sang-Yeon, Ryu, Seongok, Choi, Sunghwan, Kim, Woo Youn
Year of Publication 12.04.2017
Year of Publication 12.04.2017
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Journal Article
Poly(amide-imide) materials for transparent and flexible displays
Kim, Sun Dal, Lee, Byungyong, Byun, Taejoon, Chung, Im Sik, Park, Jongmin, Shin, Isaac, Ahn, Nam Young, Seo, Myungeun, Lee, Yunho, Kim, Yeonjoon, Kim, Woo Youn, Kwon, Hyukyun, Moon, Hanul, Yoo, Seunghyup, Kim, Sang Youl
Published in Science advances (01.10.2018)
Published in Science advances (01.10.2018)
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