• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.15 no.7
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• pp.570-575
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• 2002

$SrBi_2Ta_2O_9$ thin films were etched in $Cl_2/CF_4/Ar$ inductively coupled plasma (ICP). The maximum etch rate was 1300 ${\AA}/min$ at 900 W ICP power in Cl$_2$(20%)/$CF_4$(20%)/Ar(60%). As RF source power increased, radicals (F, Cl) and ion ($Ar^+$) increased. The influence of plasma induced damage during etching process was investigated in terms of P-E hysteresis loops, chemical states on the surface, surface morphology and phase of X-ray diffraction. The chemical states on the etched surface were investigated with X-ray spectroscopy and secondary ion mass spectrometry. After annealing $700^{\circ}C$ for 1 h in $O_2$ atmosphere, the decreased P-E hysteresises of the etched SBT thin films in Ar and $Cl_2/CF_4/Ar$ plasma were recovered.

• Journal of the Korean Chemical Society
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• v.45 no.2
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• pp.156-161
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• 2001

Various oxidation states of Polyaniline(PANI) were chemically synthesized, and characterized by FT-IR, UV-Vis, GPC, TG-DTA, Single layer light emitting diodes(LED) were perpared by spin coating of LEB-PANI solutions which have various oxidation states onto an ITO substrate and subsequent vacuum deposition of aluminum top electrode and then current-voltage characteristics. EL spectrum was investigated It was found that ${\pi}$-${\pi}$* transition were shifled to longer wavelength and molecular excition transition were decreased in the UV-Vis spectra and the intensity of EL and PL were increased as the contents of fully reduced form LEB increased. The turn-on voltage of ITO/LEB/AI structured LED was 5 V. It was found that the white light was emitted only from the phase with reduced epeat unit.

• Bulletin of the Korean Chemical Society
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• v.31 no.9
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• pp.2627-2632
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• 2010

Hormone sensitive lipase (HSL) plays a major role in energy homeostasis and lipid metabolism. Several crystal structures of HSL-homolog proteins have been identified, which has led to a better understanding of its molecular function. HSL-homolog proteins exit as both monomer and dimer, but the biochemical and structural basis for such oligomeric states has not been successfully elucidated. Therefore, we determined the crystal structure of HSL-homolog protein EstE7 from a metagenome library at $2.2\;{\AA}$ resolution and characterized the oligomeric states of EstE7 both structurally and biochemically. EstE7 protein prefers the dimeric state in solution, which is supported by its higher enzymatic activity in the dimeric state. In the crystal form, EstE7 protein shows two-types of dimeric interface. Specifically, dimerization via the external ${beta}8$-strand occurred through tight association between two pseudosymmetric folds via salt bridges, hydrogen bonds and van der Waals interactions. This dimer formation was similar to that of other HSL-homolog protein structures such as AFEST, BEFA, and EstE1. We anticipate that our results will provide insight into the oligomeric state of HSL-homolog proteins.

• Bulletin of the Korean Chemical Society
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• v.24 no.7
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• pp.931-936
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• 2003

By the use of multi-loop thermodynamic boxes developed here by us, we show that models of enzyme catalysis (e.g., split-site model) developed in an attempt to emphasize the importance of the reactant-state destabilization and, thus, demonstrate misleading nature of the fundamentalist position which defines Pauling's transition-state stabilization as the entire and sole source of enzyme catalytic power, should be reduced to the fundamentalist formulation which completely neglects dynamical aspects of mechanism between the reactant and the transition states and dwells only on events restricted to the reactant and transition states alone, because the splitsite (and other canonical) formulations as well as fundamentalist formulations are based, in common, on equilibrium assumptions stipulated by the thermodynamic box logics. We propose to define the equilibrium assumptions as the requisite and sufficient conditions for the fundamentalist position to enjoy its primacy as central dogma, but not as sufficient conditions for its validity, because it is subjected to contradictions presented by existing data.

• Bulletin of the Korean Chemical Society
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• v.1 no.1
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• pp.35-39
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• 1980

A vacuum ultraviolet photolysis of ethyl bromide was studied in the pressure range of 0.5-19.9 torr and at 123.6 nm krypton resonance line. The pressure effect on the reaction was studied by increasing the reactant pressure and by adding an inert gas, e.g., He. In the observation the monatomic gas is found to be no effect in the reaction. A scavenger effect of the reaction was also performed by adding NO gas as a radical scavenger and was found to be quite efficient to scavenge a radical product $C_2H_6$. The observation of the major reaction product $C_2H_6$ was interpreted in terms of a molecular elimination. Nontheless the decreasing phenomenon of ${\phi}_{C_2H_4}/{\phi}_{C_2H_6}$ with pressure rise was attributed to the existence of the two electronically excited states. One state proceeds to the molecular elimination and the other to carbon-bromine bond fission. The excitation and the decomposition mechanisms between two excited states and the reaction products were interpreted in terms of the first excitation which proceeds the molecular elimination, and the second excitation which resulted from the first excited state by collisional cross over decomposes by carbon-bromine bond fission.

• Bulletin of the Korean Chemical Society
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• v.20 no.12
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• pp.1493-1500
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• 1999

The electronic transitions from the ground state to low-lying excited states of CF₃OH have been investigated using high level ab initio quantum mechanical techniques. Also the possible photodissociation procedures of CF₃OH have been considered. The highest level employed in this study is TZP CCSD(T) level of theory. The possible four low-lying excited states can result by the excitation of the lone pair electron (n) in oxygen to σ$^*$ molecular orbital in C-O or O-H bond. The vertical transition (n → σ$^*$) energy is predicted to be 220.5 kcal/mol (130 nm) at TZ2P CISD level to theory. The bond dissociation energies of CF₃OH to CF₃O +H and CF₃+OH have been predicted to be 119.5 kcal/mol and 114.1 kcal/mol, respectively, at TZP CCSD level of theory. In addition, the transition state for the unimolecular decomposition of CF₃OH into CF₂O + HF has been examined. The activation energy and energy separation for this decomposition have been computed to be 43.6kcal/mol and 5.0 kcal/mol including zero-point vibrational energy corrections at TZP CCSD(T) level of theory.ed phenols were also estimated.

• Bulletin of the Korean Chemical Society
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• v.15 no.8
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• pp.663-669
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• 1994

Decay kinetics of Ga(5s), Ga(5p) and Ga(4d) atoms in Ar were studied by laser induced fluorescence technique. Theground state gallium atoms in the gas phase were generated by pulsed dc discharge of trimethyl gallium and argon mixtures. Both pulsed discharge and YAG-DYE laser system were controlled by a dual channel pulse generator and the delay time between the end of discharge and laser pulses was set 3.0-6.0 ms. The Ga(5s) and Ga(4d) atoms were generated by single photon excitation from the ground state Ga atoms and radiative lifetimes as well as the total quenching rate constants in Ar were obtained from the pressure dependence of the fluorescence decay rates. The Ga(5p) atoms were populated by a two-photon excitation method and the cascade fluorescence from Ga(5s) atoms were analyzed to extract quenching rate constant of Ga(5p) atoms by Ar in addition to radiative lifetimes of Ga(5p) state. The magnitudes of the quenching rate constants by Ar for the low-lying excited states of Ga atoms are 1.6-3$ {\times}10^{-11}cm^3$ molecul$e^{-1}s^{-1}$, which are much larger than those for alkali, alkaline earth and Group 12 metals. Based on the measured rate constants, kinetic simulations were done to assign state-to-state rate constants.

• Bulletin of the Korean Chemical Society
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• v.7 no.4
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• pp.262-266
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• 1986

A multi-reference many-body perturbation theory (MRMBPT) method is critically tested in second order by comparing with the corresponding configuration interaction (CI) calculations. Excitation energies of the four-valence-electron states of transition metal atoms and ions are used for the comparison. The agreement between the second order MRMBPT and CI calculations is very reasonable, confirming the reliability of the second order MRMBPT method. The reliability of calculations with the present second order MRMBPT method was only been inferred empirically in the past since most results have been gauged by the agreement with experiment and/or with other MRMBPT calculations based upon different sets of orbitals and configuration spaces. The present MRMBPT method appears to be an efficient ab initio multi-reference method for the calculation of electron correlation effects in atoms and molecules, and it is shown how MRMBPT can be used to estimate core-core and core-valence correlation effects which are often omitted in CI calculations because too many configurations and correlating electrons are involved.

• Journal of the Korean Chemical Society
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• v.23 no.5
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• pp.314-319
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• 1979

The electronic spectrum of marine dinoflagellate antenna pigment, peridinin, has been described in terms of PPP SCF MO CI computations and fluorescence polarization of the peridinin component in photosynthetic pigment complex of Amphidinium carterae. The main absorption band at 470 nm, $^1B{\leftarrow}A$, is polarized nearly along the long molecular axis. There appear to be two ${\pi}{\rightarrow}{\pi}^*$ transitions (C and $D{\leftarrow}A$) in the socalled "cis" peak region, and they are polarized roughly parallel to the main $B{\leftarrow}A$ absorption. In addition, we have found that the carbonyl group undergoes very 1ittle reorganization of the electronic structure in going from the ground to the $^1B$ excited states of peridinin, while the allenic group shows a strong charge transfer tendency in producing an electron-deficient allente allene group in the excited state.

• Bulletin of the Korean Chemical Society
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• v.25 no.2
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• pp.226-232
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• 2004

Ground and low-lying electronic states of Cr atoms in the gas phase were generated from photolysis of $Cr(CO)_6$ vapor in He or Ar using an unfocussed weak UV laser pulse and their reactions with $O_2$ and $N_2O$ were studied. When 0.5-1.0 Torr of $Cr(CO)_6$ /$O_2$ /He or Ar mixtures were photolyzed using 295-300 nm laser pulses, broadband chemiluminescence peaked at ~420 and ~500 nm, respectively, was observed in addition to the atomic emissions from $z^7P^{\circ}$, $z^5P^{\circ}$, and $y^7P^{\circ}$ states of Cr atoms. When $N_2O$ was used instead of $O_2$, no chemiluminescence was observed. The chemiluminescence intensities as well as the LIF intensities for those three low-lying electronic states ($a^7S_3,\;a^5S_2\;and\;a^5D_J$) showed second-order dependence on the photolysis laser power. Also, the chemiluminescence intensities were first-order in $O_2$ pressure, but the presence of excess Ar showed a strong inhibition effect on them. Based on the experimental results, the chemiluminecent species in this work is attributed to $CrO_2^*$ generated from hot ground state Cr atoms with $O_2$. The apparent radiative lifetimes of the chemiluminescent species and collisional quenching rate constants by $O_2$ and Ar also were investigated.