• Bulletin of the Korean Chemical Society
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• 제9권4호
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• pp.236-240
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• 1988

A thioamide, N-5-trifluoromethyl-6-methoxy-1-thionaphthoyl-N-m ethylglycine, undergoes trans${\rightleftharpoons}$cis photoisomerization around C-N bound in solution. Azulene quenching studies showed the photoisomerization to proceed via both singlet and triplet excited states.The total quantum yield of the trans${\rightarrow}$cis photoisomerization is about 0.26, 0.14 from the singlet excited state and 0.12 from the triplet excited state. Intersystem crossing and internal conversion quantum yields were calculated from sensitized photostationary state and a plausible mechanism is proposed.

• Bulletin of the Korean Chemical Society
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• 제14권2호
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• pp.238-243
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• 1993

A self-consistent-field Green's matrix method for the calculation of electronic properties of chemisorbed system is devised and applied to the methanol on copper(110) surface. The method is based on CNDO Hartree-Fock approximation. Contour integration in the complex energy plane is used for an efficient calculation of the charge-density bond-order matrix. The information on each fragment prior to chemisorption is efficiently used and a small number of iterations are needed to reach the self-consistency. The changes of density of states and other quantities of methanol due to chemisorption are consistent with reported experimental results.

• Bulletin of the Korean Chemical Society
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• 제15권5호
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• pp.349-353
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• 1994

The CN radical was generated in a jet with an inert buffer gas, helium from high voltage dc discharge of the precursor $CH_3CN$. The Fourier transform emission spectra of the O-O band of the $(B^2{\Sigma}^+{\to}X^2{\Sigma}^+)$ transition of CN have been obtained with a Bruker IFS-120HR spectrometer. The spectra show an anomalous distribution of rotational intensity which cannot be explained by a simple Boltzmann distribution. The analysis of the transition frequencies provides molecular constants with high accuracy for both the ground and the excited electronic states of the CN radical.

• Bulletin of the Korean Chemical Society
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• 제23권2호
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• pp.179-183
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• 2002

Resonance-enhanced multiphoton ionization with time-of-flight product imaging of the $N(^2D)$ atoms has been used to study the $N_2O$ photodissociation at 118.2 nm and the two-photon dissociation at 268.9 nm. These imaging experiments allowed the determination of the total kinetic energy distribution of the $NO(X^2{\prod})$ and $N(^2D_{5/2})$ products. The $NO(X^2{\prod})$ fragments resulting from the photodissociation processes are produced in highly vibrationally excited states. The two-photon photodissociation process yields a broad $NO(X^2{\prod})$ vibrational energy distribution, while the 118.2 nm dissociation appears to produce a vibrational distribution sharply peaked at $NO(X^2{\prod},\;{\nu}=14)$.

• Bulletin of the Korean Chemical Society
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• 제6권2호
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• pp.103-107
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• 1985

Quantum chemical calculations were carried out to explain how the electronic states of some series compounds vary with metabolic activation. Compounds studied included aromatic amines and amides, polycyclic hydrocarbons, and a few alkylating agents that do not require metabolic activation. The 1, 2 and 4 positions forming the trans-butadiene frame of a molecule, henceforth referred to as "the trans 1, 2, 4 region", have seen to be important positions for the prediction of carcinogenic activity of these compounds. It is also evident that their electrophilic properties increase with metabolic activation. That is the sum of ${\pi}$-electron densities of the trans 1, 2, 4 region in the lowest unoccupied molecular orbital (LUMO) has been found to increase in the order of precarcinogens < proximate-ones < the carbocation ultimate-ones. This is consistent with the fact that chemical carcinogens become more strongly electrophilic with activating. This region not only provides a unified view of structurally diverse carcinogens, but also predicts uniformity in their reactive sites. Accordingly, we suggest that an understanding of the trans 1, 2, 4 region would be helpful in elucidating the mechanism of carcinogenesis.

• 한국재료학회:학술대회논문집
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• 한국재료학회 1996년도 재료학회 추계학술발표회
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• pp.100-101
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• 1996

• 한국진공학회:학술대회논문집
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• 한국진공학회 2002년도 제23회 학술발표회 초록집
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• pp.168-168
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• 2002

• 한국진공학회:학술대회논문집
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• 한국진공학회 2005년도 제29회 학술발표회 초록집
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• pp.119-119
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• 2005

• Nuclear Engineering and Technology
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• 제45권3호
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• pp.295-310
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• 2013

Industry- or regulatory-sponsored research activities on the resolution of Generic Safety Issue (GSI)-191 were reviewed, especially on the chemical effects. Potential chemical effects on the head loss across the debris-loaded sump strainer under a post-accident condition were experimentally evidenced by small-scale bench tests, integrated chemical effects test (ICET), and vertical loop head loss tests. Three main chemical precipitates were identified by WCAP-16530-NP: calcium phosphate, aluminum oxyhydroxide, and sodium aluminum silicate. The former two precipitates were also identified as major chemical precipitates by the ICETs. The assumption that all released calcium would form precipitates is reasonable. CalSil insulation needs to be minimized especially in a plant using trisodium phosphate buffer. The assumption that all released aluminum would form precipitates appears highly conservative because ICETs and other studies suggest substantial solubility of aluminum at high temperature and inhibition of aluminum corrosion by silicate or phosphate. The industry-proposed chemical surrogates are quite effective in increasing the head loss across the debris-loaded bed and more effective than the prototypical aluminum hydroxide precipitates generated by in-situ aluminum corrosion. There appears to be some unresolved potential issues related to GSI-191 chemical effects as identified in NUREG/CR-6988. The United States Nuclear Regulatory Commission, however, concluded that the implications of these issues are either not generically significant or are appropriately addressed, although several issues associated with downstream in-vessel effects remain.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2015년도 제49회 하계 정기학술대회 초록집
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• pp.222.1-222.1
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• 2015

Recently, graphene quantum dots (GQDs) have attracted great attention due to various properties including cost-effectiveness of synthesis, low toxicity, and high photostability. Nevertheless, the origins of photoluminescence (PL) from GQDs are unclear because of extrinsic states of the impurities, disorder structures, and oxygen-functional groups. Therefore, to utilize GQDs in various applications, their optical properties generated from the extrinsic states should be understood. In this work, we have focused on the effect of oxygen-functional groups in PL of the GQDs. The GQDs with nanoscale and single layer are synthesized by employing graphite nanoparticles (GNPs) with 4 nm. The series of GQDs with different amount of oxygen-functional groups were prepared by the chain of chemical oxidation and reduction process. The fabrication of a series of graphene oxide QDs (GOQDs) with different amounts of oxygen-contents is first reported by a direct oxidation route of GNPs. In addition, for preparing a series of reduced GOQDs (rGOQDs), we employed the conventional chemical reduction to GOQDs solution and controlled the amount of reduction agents. The GOQDs and rGOQDs showed irreversible PL properties even though both routes have similar amount of oxyen-functional groups. In the case of a series of GOQDs, the PL spectrum was clearly redshifted into blue and green-yellowish color. On the other hand, the PL spectrum of rGOQDs did not change significantly. By various optical measurement such as the PL excitation, UV-vis absorbance, and time-resolved PL, we could verify that their PL mechanisms of GOQDs and rGOQDs are closely associated with different atomic structures formed by chemical oxidation and reduction. Our study provides an important insights for understanding the optical properties of GQDs affected by oxygen-functional groups. [1]