• Proceedings of the Polymer Society of Korea Conference
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• 2006.10a
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• pp.93-94
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• 2006

This lecture will present an overview of recent advances in our transition metal-mediated living radical polymerization, particularly focused on catalyst design and precision synthesis of functional polymers. Selected topics will include: (A) Design of Transition Metal Complexes: Evolution of Catalysts (B) New Ruthenium and Iron Catalysts: Active and Versatile (C) Functional Methacrylates for Advanced Functional Polymers (D) Functional Star Polymers: Microgel Cores for Metal Catalysts.

• Korean Journal of Computational Design and Engineering
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• v.12 no.2
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• pp.87-94
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• 2007

The functional behavior of a consumer electronic product is nearly all expressed with human-machine interaction (HMI) tasks. Although physical prototyping and computer aided design (CAD) software can show the appearance of the product, they cannot properly reflect its functional behavior. In this paper, we propose an approach to virtual prototyping (VP) that incorporates HMI functional simulation into virtual reality techniques in order to enables users to capture not only the realistic look of a consumer electronic product but also its functional behavior. We adopt state transition methodology to capture the HMI functional behavior of the product into a state transition chart, which is later used to construct a finite state machine (FSM) for the functional simulation of the product. The FSM plays an important role to control the transition between states of the product. We have developed a VP system based on the proposed approach. The system receives input events such as mouse clicks on buttons and switches of the virtual prototype model, and it reacts to the events based on the FSM by activating associated activities. The system provides the realistic visualization of the product and the vivid simulation of its functional behavior using head-mounted displays (HMD) and stereo speakers. It can easily allow users to perform functional evaluation and usability testing. A case study about the virtual prototyping of an MP3 player is given to show the usefulness of the proposed approach.

• Proceedings of the Korean Operations and Management Science Society Conference
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• 2005.05a
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• pp.854-861
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• 2005

The functional behavior of a portable consumer electronic (PCE) product is nearly all expressed with human-machine interaction (HMI) tasks. Although physical prototyping and computer aided design (CAD) software can show the appearance of the product, they cannot properly reflect its functional behavior. In this paper, we propose a virtual prototyping (VP) system that incorporates virtual reality and HMI functional simulation in order to enables users to capture not only the realistic look of a PCE product but also its functional behavior. We obtain geometric part models of the product and their assembly and kinematics information with the help of CAD and reverse engineering tools, and visualize them with various display tools. We adopt state transition methodology to capture the HMI functional behavior of the product into a state transition chart, which is later used to construct a finite state machine (FSM) for the functional simulation of the product. The FSM plays an important role to control the transition between states of the product. The proposed VP system receives input events such as mouse clicks on buttons and switches of the virtual prototype model, and it reacts to the events based on the FSM by activating associated activities. The VP system provides the realistic visualization of the product and the vivid simulation of its functional behavior. It can easily allow users to perform functional evaluation and usability testing. Moreover, it can greatly reduce communication errors occurring in a typical product development process. A case study about VP of an MP3 player is given to show the usefulness of the proposed VP system.

• Journal of the Korean Chemical Society
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• v.56 no.1
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• pp.14-19
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• 2012

We investigate the doublet and quartet potential energy surfaces associated with the gas-phase reaction between $Ti^+$ and $CF_3COCH_3$ for two plausible reaction pathways, $TiF_2^+$ and $TiO^+$ formation pathways by using the density functional theory (DFT) method. The molecular structures of intermediates and transition states involved in these reaction pathways are optimized at the DFT level by using the PBE0 functional. All transition states are identified by using the intrinsic reaction coordinate (IRC) method, and the resulting reaction coordinates describe how $Ti^+$ activates $CF_3COCH_3$ and produces $TiF_2^+$ and $TiO^+$ as products. On the basis of presented results, we propose the most favorable reaction pathway in the reaction between $Ti^+$ and $CF_3COCH_3$.

• Korean Journal of Computational Design and Engineering
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• v.13 no.3
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• pp.209-216
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• 2008

This paper presents a novel approach to design evaluation of portable consumer electronic (PCE) products using augmented reality (AR) based tangible interaction and functional behavior simulation. In the approach, the realistic visualization is acquired by overlaying the rendered image of a PCE product on the real world environment in real-time using computer vision based augmented reality. For tangible user interaction in an AR environment, the user creates input events by touching specified regions of the product-type tangible object with the pointer-type tangible object. For functional behavior simulation, we adopt state transition methodology to capture the functional behavior of the product into a markup language-based information model, and build a finite state machine (FSM) to controls the transition between states of the product based on the information model. The FSM is combined with AR-based tangible objects whose operation in the AR environment facilitates the realistic visualization and functional simulation of the product, and thus realizes faster product design and development. Based on the proposed approach, a product design evaluation system has been developed and applied for the design evaluation of various PCE products with highly encouraging feedbacks from users.

• Bulletin of the Korean Chemical Society
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• v.35 no.3
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• pp.737-742
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• 2014

The vibronic emission spectra of isomeric trimethylbenzyl radicals were reassigned based on substituent effect on electronic transition energy as well as ab initio calculation of the benzyl radical. The electronic transition energy of three isomeric jet-cooled trimethylbenzyl radicals produced by corona discharge of 1,2,3,5-tetramethylbenzene were analyzed using the empirical data of three isomeric methylbenzyl radicals. Calculated data were obtained by summing up the shifts measured from methylbenzyl radicals as well as taking the position and alignment of substituents on the benzene ring into account. The revised assignments show better agreement with observation, and rationalize the validity of the model developed to explain the substituent effect on electronic transition energy of benzyl radicals.

• Journal of the Korean Graphic Arts Communication Society
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• v.14 no.1
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• pp.17-29
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• 1996

N-substituted acrylamide hydrogel is reported to have the feature of bing transparent and sensitive enough to response to a temperature stimulus below the temperature of phase transition. Especially at the near of 35 C it becomes shrunk and opaque very quickly. It has also the characteristic of reversing swelling and shrinking. The experiment showed that it is possible to produce a functional gel of super water absorption with the process of free radical polymerizing PVA(polyvinylalcohol) and PAA(polyacrylamide), and crosslinking. The ratio of shrinking and swelling caused by copolymerization rises 10% to 80% at the each temperature of 20 C, 30 C, 40 C, respectively. Phase transition temperature of this gel by copolymerization is50 C while that of ordinary N-substituted acrylamides is between 32~35 C. This temperature reaches the rearing limit of animals and plants so that volumetric transition polymer gel can be ulilized in varying fields such as agriculture/gardening which are water-using field, on-off switch sensing temperature and volumetric variation, processing of liquid wastes and civil engineering works, architecture and electronics. We have no doubt that this material will be the high-functional resin in the hi-tech age of the near future.

• Macromolecular Research
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• v.10 no.2
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• pp.122-126
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• 2002

A molecularly imprinted polymer (MIP) having both amidine and imidazole functional groups in the active site has been prepared using p-nitrophenyl phosphate as a transition state analogue (TSA). The imprinted polymer MIP with amidine and imidazole found to have the highest hydrolysis activity compared with other MIPs with either amidine or imidazole groups only. It is postulated a cooperative effect between amidine and imidazole in the hydrolysis of p-nitrophenyl methyl carbonate (NPMC) as a substrate when both groups were arranged in proximity by molecular imprinting. The rate enhancement of the hydrolysis by MIP was 60 folds over the uncatalyzed solution reaction and two folds compared with the control non-imprinted polymer CPI having both functional groups. The enzyme-mimetic catalytic hydrolysis of p-nitrophenyl acetate by MIP was evaluated in buffer at pH 7.0 with $K_{m}$ of 1.06 mM and $k_{cat}$ of 0.137 $h^{-1}$ . . .

• Proceeding of EDISON Challenge
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• 2017.03a
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• pp.11-15
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• 2017

We present a study of transition metal compounds using density functional theory (DFT), and density-corrected density functional theory(DC-DFT). By replacing the self-consistent density with that obtained from Hartree-Fock calculation, i.e., HF-DFT, the abnormality driven by self-interaction error is removed in several important cases. We discuss when and how HF-DFT works by examining 3d orbital dimers using approximate functionals and by comparing the results from self-consistent-DFT and HF-DFT with experimental values.

• Bulletin of the Korean Chemical Society
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• v.25 no.10
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• pp.1459-1460
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• 2004