• Journal of the Korean Chemical Society
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• v.53 no.2
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• pp.99-110
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• 2009

Characteristics of supercooled liquid and glass, which are the states involved in glass transition, are reviewed. These states are non-equilibrium states, therefore, the glass transition is different from the usual phase transitions. Theories of glass transition and related experimental methods are briefly summarized.

• Bulletin of the Korean Chemical Society
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• v.30 no.12
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• pp.2973-2978
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• 2009

The decomposition reaction mechanism of $CH_3CF_2O$ radical formed from hydroflurocarbon, $CH_3CHF_2$ (HFC-152a) in the atmosphere has been investigated using ab-initio quantum mechanical methods. The geometries of the reactant, products and transition states involved in the decomposition pathways have been optimized and characterized at DFT-B3LYP and MP2 levels of theories using 6-311++G(d,p) basis set. Calculations have been carried out to observe the effect of basis sets on the optimized geometries of species involved. Single point energy calculations have been performed at QCISD(T) and CCSD(T) level of theories. Out of the two prominent decomposition channels considered viz., C-C bond scission and F-elimination, C-C bond scission is found to be the dominant path involving a barrier height of 12.3 kcal/mol whereas the F-elimination path involves that of a 28.0 kcal/mol. Using transition-state theory, rate constant for the most dominant decomposition pathway viz., C-C bond scission is calculated at 298 K and found to be 1.3 ${\times}$ 10$^4s{-1}$. Transition states are searched on the potential energy surfaces involving both decomposition channels and each of the transition states are characterized. The existence of transition states on the corresponding potential energy surface are ascertained by performing Intrinsic Reaction Coordinate (IRC) calculation.

• Journal of the Institute of Electronics Engineers of Korea SD
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• v.42 no.10 s.340
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• pp.47-54
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• 2005

In this paper, a new synthesis method for testability of synchronous sequential circuits is suggested on an incompletely-specified state transition graph (STG) by reducing the number of redundant faults. In the suggested synthesis method, 1) a given STG is modified by adding undefined states and unspecified input transitions using distinguishable transition, 2) the STG is modified to be strongly-connected as much as possible. Experimental results with MCNC benchmark show that the number of redundant faults of gate-level circuits synthesized by our modified STGs are reduced, and much higher fault coverage is obtained.

• Proceedings of the IEEK Conference
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• 2000.07a
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• pp.355-358
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• 2000

In this paper we propose procedures to enhance testability by modifying state transition tables. In these procedures, transitions about undefined states, which are not described in state transition tables but exist in a synthesized gate level circuit, are added to a state transition table. Experimental results for MCNC benchmarks are shown.

• Bulletin of the Korean Chemical Society
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• v.20 no.11
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• pp.1281-1287
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• 1999

The low-lying electronic states of diazirine and 3,3'-dimethyldiazirine have been studied by high level ab initio quantum chemical methods. The equilibrium geometries of the ground state and the first excited singlet and triplet states have been optimized using the Hartree-Fock (HF) and complete active space SCF (CASSCF) methods, as well as using the Møller-Plesset second order perturbation (MP2) theory and the single configuration interaction (CIS) theory. It was found that the first excited singlet state is of 1 B1 symmetry resulting from the n- π* transition, while the first excited triplet state is of 3 B2 symmetry resulting from the π- π* transition. The harmonic vibrational frequencies have been calculated at the optimized geometry of each electronic state, and the scaled frequencies have been compared with the experimental frequencies available. The adiabatic and vertical transition energies from the ground electronic state to the low-lying electronic states have been estimated by means of multireference methods based on the CASSCF wavefunctions, i.e., the multiconfigurational quasidegenerate second order perturbation (MCQDPT2) theory and the CASSCF second-order configuration interaction (CASSCF-SOCI) theory. The vertical transition energies have also been calculated by the CIS method for comparison. The computed transition energies, particularly by MCQDPT2, agree well with the experimental observations, and the electronic structures of the molecules have been discussed, particularly in light of the controversy over the existence of the so-called second electronic state.

• Journal of the Korean Institute of Telematics and Electronics
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• v.12 no.2
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• pp.24-27
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• 1975

A Synthesis method for multiple-input change transition-sensitive asynchronous sequential circuits is proposed. Both internal states and output states are synthesized from primitive flow tables. It is Btown that cur realization is faster than that of Chuang's. It is pointed out that Chuang's realization of output states contains malfunctions. In this paper, output stales are easily realized from primitive flaw table by the method of controlled excitation.

• Asian Journal of Innovation and Policy
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• v.11 no.3
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• pp.293-319
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• 2022

By analyzing the adaptive capacity, market formation and policy direction as functional areas of Technological Innovation System (TIS), the article evaluates the progress of renewable energy transition in the Maldives, with the inclusion of ideas from Mauritius and Cabo Verde. On the policy direction in the Maldives, technology roadmaps produced with assistance from International Renewable Energy Agency (IRENA) and Asian Development Bank (ADB) are evaluated. Although there are inducing factors such as the Solar Risk Management Initiative, the progress of energy transition is hindered by the lack of technical capacity and local value chain. The findings indicate the importance of facilitating and establishing industry and knowledge networks, incorporating innovation policies, greater involvement of the local private sector along with international investors, and taking water-energy nexus to achieve complementary targets. The study adds value to knowledge by offering a simplified TIS framework, with a current insight of the energy transition in Small Island Developing States with a focus on the Maldives.

• Journal of Magnetics
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• v.13 no.1
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• pp.7-10
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• 2008

The structural and magnetic properties of functionalized carbon chains doped with 4d transition metals, such as Ru, Rh, and Pd, were investigated using the full-potential linearized augmented plane wave (FLAPW) method. The carbon nanowire doped with Ru exhibited a ferromagnetic ground state with a sizable magnetic moment, while those doped with Rh and Pd had nonmagnetic ground states. For the Ru-doped chain, the density of states at the Fermi level showed large spin polarization, which suggests that the doped nanowire could be used for spintronic applications.

• Bulletin of the Korean Chemical Society
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• v.2 no.2
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• pp.41-45
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• 1981

For solvolyses of benzenesulfonylchlorides we determined transfer enthalpies of transition states, and solvent (TFE + EtOH) and substituent effects on rates. We have used the More O'Ferrall plots to show that transition states variation caused by solvent and substituent changes is consistent with an associative $S_N2$ mechanism for the nucleophilic substitution reaction of benzenesulfonylchlorides.

• Journal of the Korean Society of Safety
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• v.11 no.3
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• pp.104-111
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• 1996

A system was developed that could predict hazardous states for safe operation of chemical plants. This system aimed to prevent hazards of chemical processes from misoperation before real operation. In this study, a data base was organized which consisted of all hazards in the chemical processes. The structure of process was represented by signed direct graph(SDG) of NODEs and ARCs. Each NODE and ARC have property variables ; connected structure and state of processes etc. The hazards that could be occurred in processes were divided into two classes ; one is by operation of unit and the other is by hazardous materials. Using Hazardous States Transition Network, we could recognize transition progress of process states.