K
Kwang S. Kim
Researcher at Ulsan National Institute of Science and Technology
Publications - 671
Citations - 71259
Kwang S. Kim is an academic researcher from Ulsan National Institute of Science and Technology. The author has contributed to research in topics: Graphene & Ab initio. The author has an hindex of 97, co-authored 642 publications receiving 62053 citations. Previous affiliations of Kwang S. Kim include Asia Pacific Center for Theoretical Physics & IBM.
Papers
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Journal ArticleDOI
Hydration structures and energetics of phospholipid
Kwang S. Kim,Enrico Clementi +1 more
TL;DR: In this article, the potentials of the intermolecular interaction energies of PL, Lysophosphatidyl Ethanolamine, with one Na+ ion and one water molecule were analyzed using Monte Carlo simulations.
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Highly Stereospecific Epimerization of α-Amino Acids: Conducted Tour Mechanism
Indrajit Bandyopadhyay,Han Myoung Lee,Pilarisetty Tarakeshwar,Chunzhi Cui,Kyong Seok Oh,Jik Chin,Kwang S. Kim +6 more
TL;DR: The main emphasis is laid on the base-catalyzed epimerization reaction that drives the stereospecific recognition to near completion and the conducted tour mechanism is found to be the most likely candidate.
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Theoretical Study of the Gas Phase Sc + (NO, O2) → ScO + (N, O) Reactions
TL;DR: In this article, the potential energy surfaces concerning a moderately exoergic reaction, Sc + NO → ScO + N, and a largely exergic reaction (Sc + O2 → Sc O + O, O + N) were calculated with all-electron multiconfiguration self-consistent field and configuration interaction methods.
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Ir and NHC Dual Chiral Synergetic Catalysis: Mechanism and Stereoselectivity in γ-Butyrolactone Formation.
Bangaru Bhaskararao,Madeline E. Rotella,Dong Yeon Kim,Jung-Min Kee,Kwang S. Kim,Marisa C. Kozlowski +5 more
TL;DR: Calculated pathways agree with the experimental findings in terms of the absolute configuration, the enantiomer excess, and the different diastereomers seen with the (R)- and (S)-spiro-phosphoramidite combined with the NHC catalyst.
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Controlling metal nanotoppings on the tip of silicide nanostructures.
In-Chul Hwang,Rajesh Kumar,Namdong Kim,Namdong Kim,Young Soo Chun,Jung Woo Lee,Pavan Kumar,Rudra S Mana,Choi Chang-Hoon,Jae Rhung Lee,Kwang S. Kim +10 more
TL;DR: Using the difference in surface tension between SiO2 and metal catalysts (Mn2+, Ni2+), it is shown how metals form nanoshells, nanodiscs and nanospheres at the tips of theSiO2 nanostructures of nanocones, nanorods and nanowires.