• Journal of the Korean Chemical Society
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• v.23 no.3
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• pp.119-124
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• 1979

The cyclization of o-terphenyl type compounds were interpreted by means of orbital symmetry theory and energy correlation diagram. Results show that the cyclization of o-terphenyl type compounds are photocyclization. This agrees with the experimental result and other theoretical ones.

• Bulletin of the Korean Chemical Society
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• v.32 no.7
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• pp.2332-2338
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• 2011

In this study, we proposed a new promising idea of utilizing moving window principal component analysis (MWPCA) as a sensitive diagnostic tool to detect the presence of peak position shift. In this approach, the moving window is constructed from a small data segment along the wavenumber axis. For each window bound by a narrow wavenumber region, separate PCA analysis was applied. Simulated spectra with complex spectral feature variations were analyzed to explore the possibility of MWPCA technique. This MWPCA-based detection of the peak shift, potentially coupled with 2D correlation analysis to provide additional verification, may offer an attractive solution.

• Journal of the Mineralogical Society of Korea
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• v.12 no.2
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• pp.77-90
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• 1999

Characteristics and variations of chemical compositions in Co-rich crusts occurred in the EEZ of the Republic of Marshall Islands were reviewed. Correlation coefficient analysis, hierarchical cluster analysis, and Q-mode factor analysis for 62 samples were done in this study. All data were selected and gathered from the open file report of the cooperative cruise done by United States Geological Survey with Scripps Institute of Oceanography, University of Hawaii or Korea Ocean Research Development Institute. The average of crust thickness. Co content, and Ni content of 62 samples from the 21 seamounts were 30mm, 0.58 wt% and 0.40%, respectively. The mineral phases and associated elements assigned by correlation coefficients, cluster analysis and Q-mode factor analysis are following four. 1) CFA: P, Ca, CO2, Y, Sr: 2) Mn-oxide mineral: As, Mn, Co, Na: 3) Al-silicate mineral: Pd,Si, Al, Cu, Fe: 4) PGE-bearing mineral: Rh, Pt, Ir.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.21 no.4
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• pp.362-367
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• 2008

We have Manufactured the low-k dielectric interlayer fabricated by plasma enhanced chemical vapor deposition (PECVD), The thin film of SiOCH is studied correlation between components and Dielectric constant. The precursor was evaporated and introduced with the flow rates from 16 sccm to 25 sccm by 1sccm step in the constant flow rate of 60 sccm $O_2$ in process chamber. The chemical characteristics of SiOCH were analyzed by measuring FT/IR absorption lines and obtained each dielectric constant measuring C-V. Then compare respectively. ILD of BTMSM/$O_2$ could have low dielectric constant about $k\sim2$, and react sensitively. Also dielectric constant could be decreased by the effects of decreasing $CH_3$ and growing Si-O-Si(C) after annealing process.

• Bulletin of the Korean Chemical Society
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• v.31 no.11
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• pp.3366-3370
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• 2010

The specific rates of solvolysis of t-butyl fluoroformate (1) have been measured at $40.0^{\circ}C$ in 21 pure and binary solvents. These give a satisfactory correlation over the full range of solvents when the extended Grunwald-Winstein equation, with incorporation of the solvent nucleophilicity and the solvent ionizing power, is applied. The actual values are very similar to those obtained in earlier studies of the solvolyses of isopropyl chloroformate and ethyl chlorothioformate in the more ionizing and least nucleophilic solvents, which are believed to proceed by an ionization pathway. The small negative values for the entropies of activation are consistent with the ionization nature of the proposed rate-determining step. These observations are also compared with those previously reported for the corresponding primary and secondary alkyl haloformate esters.

• Bulletin of the Korean Chemical Society
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• v.28 no.8
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• pp.1371-1374
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• 2007

The velocity auto-correlation (VAC) function of liquid argon in the Green-Kubo formula decays quickly within 5 ps to give a well-defined diffusion coefficient because the velocity is the property of each individual particle, whereas the stress (SAC) and heat-flux auto-correlation (HFAC) functions for shear viscosity and thermal conductivity have non-decaying, long-time tails because the stress and heat-flux appear as system properties. This problem can be overcome through N (number of particles)-fold improvement in the statistical accuracy, by considering the stress and the heat-flux of the system as properties of each particle and by deriving new Green-Kubo formulas for shear viscosity and thermal conductivity. The results obtained for the transport coefficients of liquid argon obtained are discussed.

• Bulletin of the Korean Chemical Society
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• v.24 no.3
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• pp.357-362
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• 2003

The pathway producing imide ring closure during the thermal imidization of poly(amic acid) (PAA) was investigated in detail using a new analytical method, two-dimensional (2D) Raman correlation spectroscopy. The signs of the cross peaks in synchronous spectra provided evidence of the thermal imidization of PAA into PI as the heating temperature increased. The signs of the cross peaks in asynchronous spectra suggested that the imide-related modes changed prior to the amide or carboxylic mode, which indicates that cyclization occurred before the amide proton was abstracted.

• Bulletin of the Korean Chemical Society
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• v.29 no.5
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• pp.963-968
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• 2008

For the [$Cr_2(H_2tmp)_2Cl_4$] compound, simplified models with two bridging methoxo ligands have been studied. The influence of the bridging Cr-O-Cr bond angles on the exchange coupling between metal atoms in the model compound has been analyzed by means of density functional calculations with the broken-symmetry approach. Coupling constant calculated for the full structure is in good agreement with the experimentally reported value, confirming the validity of the computational strategy used in this work to predict the exchange coupling in a family of related dinuclear Cr(III) compounds. The calculations indicate a good correlation between the calculated coupling constant and the sum of the squared energy gap of three pairs of metal $t_{2g}$ OMSOs with a limited variation of the Cr-O-Cr angle. The spin density distribution and the mechanism of magnetic coupling interactions are discussed.

• Bulletin of the Korean Chemical Society
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• v.34 no.10
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• pp.2931-2936
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• 2013

This paper presents results for the calculation of transport properties of noble gases (He, Ne, Ar, Kr, and Xe) at 273.15 K and 1.00 atm using equilibrium molecular dynamics (EMD) simulations through a Lennard-Jones (LJ) intermolecular potential. We have utilized the revised Green-Kubo formulas for the stress (SAC) and the heat-flux auto-correlation (HFAC) functions to estimate the viscosities (${\eta}$) and thermal conductivities (${\lambda}$) of noble gases. The original Green-Kubo formula was employed for diffusion coefficients (D). The results for transport properties (D, ${\eta}$, and ${\lambda}$) of noble gases at 273.15 and 1.00 atm obtained from our EMD simulations are in a good agreement with the rigorous results of the kinetic theory and the experimental data. The radial distribution functions, mean square displacements, and velocity auto-correlation functions of noble gases are remarkably different from those of liquid argon at 94.4 K and 1.374 $g/cm^3$.

• Journal of Astronomy and Space Sciences
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• v.35 no.1
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• pp.1-6
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• 2018

The reanalysis of the previously published abundance pattern of mild barium star HD202109 (${\zeta}$ Cyg) and the chemical compositions of 129 thin disk barium stars facilitated the search for possible correlations of different stellar parameters with second ionization potentials of chemical elements. Results show that three valuable correlations exist in the atmospheres of barium stars. The first is the relationship between relative abundances and second ionization potentials. The second is the age dependence of mean correlation coefficients of relative abundances vs. second ionization potentials, and the third one is the changes in correlation coefficients of relative abundances vs. second ionization potentials as a function of stellar spatial velocities and overabundances of s-process elements. These findings demonstrate the possibility of hydrogen and helium accretion from the interstellar medium on the atmospheres of barium stars.