• Bulletin of the Korean Chemical Society
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• v.29 no.2
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• pp.450-462
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• 2008

The physical chemistry (PC) articles published in the Bulletin of the Korean Chemical Society (BKCS) from 2003 to 2007 are surveyed, and in-depth content analysis was conducted to classify the PC articles into 12 topics used in The Journal of Physical Chemistry (JPC). The PC articles published in the Journal of the American Chemical Society (JACS) in 2007 are also surveyed. The extensive summary of all PC articles in BKCS for the last five years reveals the current trend of physical chemistry research in Korea. The comparison study with the JACS shows that the proportion of PC articles among all articles published in BKCS (16%) is slightly higher than that of JACS (11%), and the non-Korean authorship ratio of BKCS (12%) is very low compared with the non-US authorship of JACS (52%). From the comparison study with articles published in JPC in 2007, it is found that BKCS disseminates various topics of physical chemistry researches adequately. In particular, BKCS most frequently published PC articles in molecular structure and spectroscopy topics, whereas JPC published surface chemistry and nano-chemistry articles most frequently. It is concluded that BKCS should publish more articles to be a leading journal, and it is suggested that the SCI impact factor of BKCS must be increased by improving the electronic version of BKCS.

• Bulletin of the Korean Chemical Society
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• v.33 no.5
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• pp.1465-1469
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• 2012

For given electrolytes, different behaviors of anodic aluminum oxide (AAO) and anodic titanium oxide (ATO) during electrochemical thinning are explained by ionic and electronic current modes. Branched structures are unavoidably created in AAO since the switch of ionic to electronic current is slow, whereas the barrier oxide in ATO is thinned without formation of the branched structures. In addition, pore opening can be possible in ATO if chemical etching is performed after the thinning process. The thinning was optimized for complete pore opening in ATO and potential-current behavior is interpreted in terms of ionic current-electronic current switching.

• Bulletin of the Korean Chemical Society
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• v.24 no.6
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• pp.780-784
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• 2003

The collective electronic oscillator (CEO) method was developed by Mukamel and collaborators.[Phys. Rev. Lett. 1992, 69, 65; Science 1997, 277, 781] Recently Ⅰ have extended the CEO method to obtain the frequency dependent optical properties with all the contributing components. The brief introduction of the CEO fomalism and its recent applications to linear absorption and two-photon absorption (TPA) of conjugated organic molecules will be discussed. The size scaling of optical properties of polyenes and polyynes have studied by ab initio calculations, and this result is consistent with the coherence length of the time dependent densities to first ($ρ^(1)$) and second order ($ρ^(2)$) in the electric field obtained from the CEO method.

• Bulletin of the Korean Mathematical Society
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• v.50 no.2
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• pp.417-430
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• 2013

Let X be a Banach space and ${\psi}$ a continuous convex function on ${\Delta}_{K+1}$ satisfying certain conditions. Let $(X{\bigoplus}X{\bigoplus}{\cdots}{\bigoplus}X)_{\psi}$ be the ${\psi}$-direct sum of X. In this paper, we characterize the K strict convexity, K uniform convexity and uniform non-$l^N_1$-ness of Banach spaces using ${\psi}$-direct sums.

• 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.

• Bulletin of the Korean Chemical Society
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• v.32 no.8
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• pp.2751-2755
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• 2011

The visible vibronic emission spectrum was recorded from the corona discharge of precursor 1,2,3,4-tetramethylbenzene with a large amount of inert carrier gas helium using a pinhole-type glass nozzle coupled with corona excited supersonic expansion. The spectrum showed a series of vibronic bands in the $D_1{\rightarrow}D_0$ electronic transition of jet-cooled benzyl-type radicals formed from the precursor in a corona excitation. The analysis confirmed that two isomeric radicals, 2,3,4- and 2,3,6-trimethylbenzyl radicals, were produced as a result of removal of a hydrogen atom from the methyl group at different substitution positions. For each isomeric product, the electronic transition and a few vibrational mode frequencies were determined in the ground electronic state.

• Bulletin of the Korean Chemical Society
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• v.32 no.9
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• pp.3389-3394
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• 2011

Isomeric trimethylbenzyl radicals were generated and vibronically excited from precursor 1,2,3,5-tetramethylbenzene, isodurene, with a large amount inert carrier gas helium in a corona excited supersonic expansion (CESE) using a pinhole-type glass nozzle. A long-path monochromator was used to record the visible vibronic emission spectra of the jet-cooled benzyl-type radicals in the $D_1{\rightarrow}D_0$ electronic transition. From the analysis of the spectra, we identified the evidence of the presence of three isomeric trimethylbenzyl radicals in the corona discharge, and obtained the electronic energy and a few vibrational mode frequencies in the ground electronic state for each isomer.

• Bulletin of the Korean Chemical Society
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• v.33 no.1
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• pp.153-158
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• 2012

The hydrogenation of $AlB_2$-type BaGaGe exhibits a metal to insulator (MI) transition, inducing a puckering distortion of the original hexagonal [GaGe] layers. We investigate the electronic structure changes associated with the hydrogen-induced MI transition, using extended H$\ddot{u}$ckel tight-binding band calculations. The results indicate that hydrogen incorporation in the precursor BaGaGe is characterized by an antibonding interaction of $\pi$ on GaGe with hydrogen 1s and the second-order mixing of the singly occupied antibonding $\pi^*$ orbital into it, through Ga-H bond formation. As a result, the fully occupied bonding $\pi$ band in BaGaGe changes to a weakly dispersive band with Ge pz (lone pair) character in the hydride, which becomes located just below the Fermi level. The Ga-Ge bonds within a layered polyanion are slightly weakened by hydrogen incorporation. A rationale for this is given.

• Bulletin of the Korean Space Science Society
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• 2004.10b
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• pp.270-273
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• 2004

The initial thermal analysis needs to be fast and efficient to reduce the feedback time for the optimal electronic equipment designing. In this study, a thermal model is developed by using power consumption measurement values of each functional breadboard, that is, semi-empirical power dissipation method. In modeling heat dissipated EEE parts, power dissipation is imposed evenly on the EEE part footprint area which is projected to the printed circuit board, and is called surface heat model. The application of these methods is performed in the development of a command and telemetry unit (CTU) for a geostationary satellite. Finally, the thermal cycling test is performed to verify the applied thermal analysis methods.

• Bulletin of the Korean Chemical Society
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• v.34 no.1
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• pp.179-187
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• 2013

We describe newly developed software named KPACK for relativistic electronic structure computation of molecules containing heavy elements that enables the two-component ab initio calculations in Kramers restricted and unrestricted formalisms in the framework of the relativistic effective core potential (RECP). The spin-orbit coupling as relativistic effect enters into the calculation at the Hartree-Fock (HF) stage and hence, is treated in a variational manner to generate two-component molecular spinors as one-electron wavefunctions for use in the correlated methods. As correlated methods, KPACK currently provides the two-component second-order M${\o}$ller-Plesset perturbation theory (MP2), configuration interaction (CI) and complete-active-space self-consistent field (CASSCF) methods. Test calculations were performed for the ground states of group-14 elements, for which the spin-orbit coupling greatly influences the determination of term symbols. A categorization of three procedures is suggested for the two-component methods on the basis of spin-orbit coupling manifested in the HF level.