• 제목/요약/키워드: $S_nO_n$

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DFT Study for the Thermodynamic Stability and Binding Energeticsof SnOn, SnO2n, SnO3n (n = 1~4) (SnOn, SnO2n, SnO3n (n = 1~4)의 열역학적 안정성과 결합에너지에 대한 DFT 이론 연구)

  • Kim, Si-Jo;Kim, Seung-Joon
    • Journal of the Korean Chemical Society
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    • v.53 no.5
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    • pp.512-520
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    • 2009
  • The theoretical calculations for $S_nO_n,\;S_nO_{2n},\;S_nO_{3n}\;(n\;=\;1{\sim}4)$ have been considered at the B3LYP level of theory with various basis sets. The optimized geometries, harmonic vibrational frequencies, and binding energies are evaluated to elucidate the thermodynamic stability and spectroscopic properties. The harmonic vibrational frequencies for the molecules considered in this study show all real numbers implying true minima. The binding energies due to increasing of $S_nO_n,\;S_nO_{2n},\;S_nO_{3n}$ monomers are calculated at the MP2/6-311G** level of theory. For $S_nO_n\;(n\;=\;1{\sim}4)$, the binding energy difference is about 20∼25 kcal/mol by adding SO monomer. For $SO_2\;and\;SO_3\;(n\;=\;1{\sim}4)$, the binding energy differences are relatively small by comparing to $S_nO_n$.

N,N'-Dimethylethylenediamine-N,N'-di-α-butyric Acid Cobalt(III) Complexes Utilizing Oxidation of Sulfur of S-Methyl-L-cysteine

  • Kim, Hyun-Jin;Youm, Kyoung-Tae;Yang, Jung-Sung;Jun, Moo-Jin
    • Bulletin of the Korean Chemical Society
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    • v.23 no.6
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    • pp.851-856
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    • 2002
  • The Reaction of S-methyl-S-cysteine(L-Smc) with racemic $s-cis-[Co(demba)Cl_2]-1$ (Hydmedba = $NN'-dimethylethylenediamine-NN'-di-\alpha-butyric$, acid) yields ${\Delta}$-s-cis-[Co(dmedba)(L-Smc)] 2 with N, O-chelation. Oxidation of sulfur of 2 with $H_2O_2$ in a 1 : 1 mole ratio gives ${\Delta}$-s-cis[Co(dmedba)(L-S(O)mc)] 3 having an uncoordinated sulfenate group. Oxidation of sulfur of L-Sm with $H_2O_2in$ a 1: 1 mole ratio produces S-methyl-L-cysteinesulfenate (L-S(O)me) 5. Direct reaction of 1 with 5 in basic medium gives an N.O-chelated ${\Delta}$s-cis[Co(dmedba)(L-S(O)mc)-N.O], which turmed out be same as obtained by oxidation of 2, while an N, S-chelated ${\Delta}$-s-cis-[Co(dmedba)(S-S(O)mc)-N,O] complex 4 is obtained in acidic medium from the reaction of 1 with 5. This is one of the rare $[$Co^{III}$(N_2O_2-type$ ligand)(amino acid)] type complex preparations, where the reaction conditions determine which mode of N, O and N, S caelation modes is favored.

Effect of Microstructures and Sintering Additives on the Mechanical Properties of Si$_3$N$_4$ (질화규소의 기계적 특성에 미치는 미세구조 및 소결조제의 영향)

  • Park, Hye-Ryeon;Lee, O-Sang;Park, Hui-Dong;Lee, Jae-Do
    • Korean Journal of Materials Research
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    • v.2 no.5
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    • pp.330-336
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    • 1992
  • Four distinctive hot pressed and heat treated S${i_3}{N_4}$ceramics, S${i_3}{N_4}$-8%${Y_2}{O_3}$, S${i_3}{N_4}$-6% ${Y_2}{O_3}$-2% $A{l_2}{O_3}$, S${i_3}{N_4}$-4% ${Y_2}{O_3}$-3% $A{l_2}{O_3}$, 그리고 S${i_3}{N_4}$-1% MgO-1% Si$O_2$(in wt%), were prepared and characterized by X-ray diffraction, scanning electron microscopy, image analysis and mechanical tests. The fracture toughness of S${i_3}{N_4}$-8% ${Y_2}{O_3}$specimens containing large elongated grains showed the highest value of about 9.8MPa$m^{1/2}$. Two out of four S${i_3}{N_4}$, ceramics(S${i_3}{N_4}$-6% ${Y_2}{O_3}$-2% $A{l_2}{O_3}$and S${i_3}{N_4}$-4% ${Y_2}{O_3}$-3% $A{l_2}{O_3}$) heat treated at 200 $0^{\circ}C$retained the fracture strength of over 900MPa and fracture toughness of over 8.0MPa$m^{1/2}$. Large ${\beta}$-S${i_3}{N_4}$grains having a diameter larger than 1${\mu}$m appeared to contribute to increase in fracture toughness.

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CONSTRUCTIVE PROOF FOR THE POSITIVITY OF THE ORBIT POLYNOMIAL On,2d(q)

  • Lee, Jaejin
    • Korean Journal of Mathematics
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    • v.25 no.3
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    • pp.349-358
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    • 2017
  • The cyclic group $C_n={\langle}(12{\cdots}n){\rangle}$ acts on the set $(^{[n]}_k)$ of all k-subsets of [n]. In this action of $C_n$ the number of orbits of size d, for d | n, is $$O^{n,k}_d={\frac{1}{d}}{\sum\limits_{{\frac{n}{d}}{\mid}s{\mid}n}}{\mu}({\frac{ds}{n}})(^{n/s}_{k/s})$$. Stanton and White [6] generalized the above identity to construct the orbit polynomials $$O^{n,k}_d(q)={\frac{1}{[d]_{q^{n/d}}}}{\sum\limits_{{\frac{n}{d}}{\mid}s{\mid}n}}{\mu}({\frac{ds}{n}})[^{n/s}_{k/s}]_{q^s}$$ and conjectured that $O^{n,k}_d(q)$ have non-negative coefficients. In this paper we give a constructive proof for the positivity of coefficients of the orbit polynomial $O^{n,2}_d(q)$.

COMBINATORIAL PROOF FOR THE POSITIVITY OF THE ORBIT POLYNOMIAL $O^{n,3}_d(q)$

  • Lee, Jae-Jin
    • Journal of applied mathematics & informatics
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    • v.30 no.3_4
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    • pp.455-462
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    • 2012
  • The cyclic group $Cn={\langle}(12{\cdots}n){\rangle}$ acts on the set ($^{[n]}_k$) of all $k$-subsets of [$n$]. In this action of $C_n$ the number of orbits of size $d$, for $d|n$, is $$O^{n,k}_d=\frac{1}{d}\sum_{\frac{n}{d}|s|n}{\mu}(\frac{ds}{n})(^{n/s}_{k/s})$$. Stanton and White[7] generalized the above identity to construct the orbit polynomials $$O^{n,k}_d(q)=\frac{1}{[d]_{q^{n/d}}}\sum_{\frac{n}{d}|s|n}{\mu}(\frac{ds}{n})[^{n/s}_{k/s}]{_q}^s$$ and conjectured that $O^{n,k}_d(q)$ have non-negative coefficients. In this paper we give a combinatorial proof for the positivity of coefficients of the orbit polynomial $O^{n,3}_d(q)$.

Corrosion of Fe-2%Mn-0.5%Si Steels at 600-800℃ in N2/H2O/H2S Atmospheres

  • Kim, Min-Jung;Park, Sang-Hwan;Lee, Dong-Bok
    • Journal of Surface Science and Engineering
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    • v.44 no.5
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    • pp.201-206
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    • 2011
  • Fe-2%Mn-0.5%Si alloys were corroded at 600, 700 and $800^{\circ}C$ for up to 70 h in 1 atm of $N_2$ gas, or 1 atm of $N_2/H_2O$-mixed gases, or 1 atm of $N_2/H_2O/H_2S$-mixed gases. Oxidation prevailed in $N_2$ and $N_2/H_2O$ gases, whereas sulfidation dominated in $N_2/H_2O/H_2S$ gases. The oxidation/sulfidation rates increased in the order of $N_2$ gas, $N_2/H_2O$ gases, and, much more seriously, $N_2/H_2O/H_2S$ gases. The base element of Fe oxidized to $Fe_2O_3$ and $Fe_3O_4$ in $N_2$ and $N_2/H_2O$ gases, whereas it sulfidized to FeS in $N_2/H_2O/H_2S$ gases. The oxides or sulfides of Mn or Si were not detected from the XRD analyses, owing to their small amount or dissolution in FeS. Since FeS was present throughout the whole scale, the alloys were nonprotective in $N_2/H_2O/H_2S$ gases.

3-Points Average Pivot Quicksort (3-점 평균 피벗 퀵정렬)

  • Lee, Sang-Un
    • The Journal of the Institute of Internet, Broadcasting and Communication
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    • v.14 no.6
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    • pp.295-301
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    • 2014
  • In the absence of a sorting algorithm faster than O(n log n), Quicksort remains the best and fastest of its kind in practice. For given n data, Quicksort records running in O(n log n) at best and $O(n^2)$ at its worst. In this paper, I propose an algorithm by which 3-points average P=(L+M+H)/3 is set as a pivot for first array L=a[s], last array H=a[e], and middle array $M=a[{\lfloor}(s+e)/2{\rfloor}]$ in order to find the more fast than Quicksort. Test results prove that the proposed 3-points average pivot Quicksort has the time complexity of O(n log n) at its best, average, and worst cases. And the proposed algorithm can be reduce the $O(n^2)$ time of Quicksort to O(n log n).

The effect of swimming exercise on inflammation in ovariectomized mice with non-alcoholic fatty liver (비알코올성 지방간을 가진 난소절제 쥐에서 염증에 대한 수영운동의 영향)

  • Jeong, Sun-Hyo
    • Journal of the Korean Applied Science and Technology
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    • v.38 no.2
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    • pp.356-367
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    • 2021
  • This study investigated the effect of swimming exercise on inflammation in non-alcoholic fatty liver using animal models of postmenopausal obese women. Experimental animals were divided into a sham-operate + non-swimming trained group (S/N), an ovariectomize + non-swimming trained group (O/N) and an ovariectomize + swimming trained group (O/S), and were bred while eating a high fat diet for 8 weeks. Fat accumulation in liver tissue, liver weight, and serum AST and ALT increased in O/N compared to S/N, but decreased in O/S compared to O/N. Compared to S/N, O/N decreased the gene expression of IκBα in liver tissue and increased gene expression of MCP-1, IL-6, and TNF-α. But compared to O/N, O/S increased the gene expression of IκBα in liver tissue and decreased gene expression of MCP-1, IL-6, and TNF-α. In conclusion, this study suggested that swimming exercise was effective in improving physical health by improving inflammation in non-alcoholic fatty liver in obese mice induced obesity by high fat diet after ovariectomy.

Analysis of UWB Interferences in a S-DMB Receiver (S-DMB 수신기에서 UWB 시스템 간섭 분석)

  • Park Tae-Heung;Yang Hoon-Gee;Park Seong-Gyoon
    • The Journal of Korean Institute of Electromagnetic Engineering and Science
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    • v.16 no.3 s.94
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    • pp.270-276
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    • 2005
  • This paper presents an analytical analysis about neighboring UWB interferences in a S-DMB receiver. We first derive the C/N$_{o}$ of a S-DMB receiver, based on its specifications and present the theoretical description of its effect to UWB interferences in terms of C/(N$_{o}$+ I) and I/N$_{o}$. Using the calculated C/(N$_{o}$+ I) and I/N$_{o}$, we derive the separation distance for a S-DMB receiver not to be interfered by UWB interferences. Finally, we propose an UWB emission limit at minimum separation distance under which a S-DMB is free of UWB interferences and compare it with the value appeared in FCC proposal.

Calculation of the Dipole Moment for Octahedral [Co(III)-$O_3N_3$], Tetrahedral [M(II)-$O_2N_2$] and Square Planner [M(II)-$O_2N_2$] Type Complexes [M(II) = Ni(II) or Cu(II)] (정팔면체 [Co(III)-$O_3N_3$], 정사면체 [M(II)-$O_2N_2$] 및 정사각형 [M(II)-$O_2N_2$] 형태 착물의 쌍극자모멘트의 계산 [M(II) = Ni(II) 또는 Cu(II)])

  • Ahn Sang Woon
    • Journal of the Korean Chemical Society
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    • v.22 no.5
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    • pp.295-303
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    • 1978
  • The dipole moments for octahedral [Co(III)-$O_3N_3$], tetrahedral [M(II)-$O_2N_2$] and square planar [M(II)-$O_2N_2$] types complexes are calculated by the expansion method for spherical harmonics using the valence basis sets for the central metal ion and the single basis set orbital ($2p_z$) for ligands. The calculated dipole moments for these complexes are in agreement with the experimental values.

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