• Bulletin of the Korean Chemical Society
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• v.31 no.5
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• pp.1349-1354
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• 2010

The geometries and isomerization of the alkylidene silylenoid $H_2C$ = SiLiF as well as its insertion reactions with R-H (R = F, OH, $NH_2$) have been systematically investigated at the B3LYP/6-311+$G^*$ level of theory. The potential barriers of the three insertion reactions are 97.5, 103.3, and 126.1 kJ/mol, respectively. Here, all the mechanisms of the three reactions are identical to each other, i.e., an intermediate has been formed first during the insertion reaction. Then, the intermediate could dissociate into the substituted silylene ($H_2C$ = SiHR) and LiF with a barrier corresponding to their respective dissociation energies. Correspondingly, the reaction energies for the three reactions are -36.4, -24.3, and 3.7 kJ/mol, respectively. Compared with the insertion reaction of $H_2C$ = Si: and R-H (R = F, OH and $NH_2$), the introduction of LiF makes the insertion reaction occur more easily. Furthermore, the effects of halogen (F, Cl, Br) substitution and inorganic salts employed on the reaction activity have also been discussed. As a result, the relative reactivity among the three insertion reactions should be as follows: H-F > H-OH > H-$NH_2$.

• Journal for History of Mathematics
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• v.28 no.2
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• pp.103-115
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• 2015

Contemporary differential geometry owes much to the theory of connections on the bundles over manifolds. In this paper, following the work of Gauss on surfaces in 3 dimensional space and the work of Riemann on the curvature tensors on general n dimensional Riemannian manifolds, we will investigate how differential geometry had been developed from mid 19th century to early 20th century through lives and mathematical works of Christoffel, Ricci-Curbastro and Levi-Civita. Christoffel coined the Christoffel symbol and Ricci used the Christoffel symbol to define the notion of covariant derivative. Levi-Civita completed the theory of absolute differential calculus with Ricci and discovered geometric meaning of covariant derivative as parallel transport.

• Advances in aircraft and spacecraft science
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• v.9 no.2
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• pp.149-167
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• 2022

A Modified fuzzy mechanical control of large-scale multiple time delayed dynamic systems in states is considered in this paper. To do this, at the first level, a two-step strategy is proposed to divide a large system into several interconnected subsystems. And we focus on the damage propagation for aircraft structural analysis of composite materials. As a modified fuzzy control command, the next was received as feedback theory based on the energetic function and the LMI optimal stability criteria which allow researchers to solve this problem and have the whole system in asymptotically stability. And we focus on the results which shows the high effective by the proposed theory utilized for damage propagation for aircraft structural analysis of composite materials.

• Bulletin of the Korean Chemical Society
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• v.23 no.2
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• pp.337-345
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• 2002

The equilibrium structures for the ground and transition states of $C_7H_7^+$ isomers have been investigated using sophisticated ab initio quantum mechanical techniques with various basis sets. The structures of tropyrium and benzyl cations have been fully optimized at the DZP CCSD(T) levels of theory. And the structures of o-, m-and p-tolyl cations are optimized fully up to the DZ CCSD(T) levels of theory. The geometries for the transition states between three isomers of tolyl cations have been optimized up to DZP CISD level of theory. The SCF harmonic vibrational frequencies for tropylium, benzyl, and three isomers of tolyl cations are all real numbers, which confirm the potential minima and each unique imaginary vibrational frequencies for TS1 and TS2 confirm the true transition states. The relative energy of the benzyl cation with respect to the tropyrium cation is predicted to be 28.5 kJ/mol and is in good agreement with the previous theoretical predictions. The 0 K heats of formation, ${\Delta}H^{\circ}_{f0}$, have been predicted to be 890, 1095, 1101, and 1110 kJ/mol for tropylium, ortho-, meta-, and para-tolyl cations by taking the experimental value of 919 kJ/mol for the benzyl cation as the base level. The relative stability between tolyl cations is in the order of ortho

• Proceedings of the Korean Institute of Building Construction Conference
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• 2017.11a
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• pp.24-25
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• 2017

Gamma-C₂S (γ-C₂S) is a substance that is difficult to react with water under normal temperature but can absorb a large amount of CO₂ in the air. The addition of γ-C₂S to cementitious materials through the curing of CO₂ can improve the pore structure and improve the durability of the material. In this study, three kind of Ca-bearing materials : CaO, Ca(OH)₂, CaCO₃, were calcined 2.5h at 1450℃ to synthesize γ-C₂S after mixing with SiO₂ respectively. Among them, Ca(OH)₂ mixed with SiO₂ after calcining shows highest content. Synthesized γ-C₂S was added to the cement mortar, after water curing for 1 month, accelerated carbonation test was experimented. After 28d accelerated carbonation test, pore structure will be detectived by MIP. Based on the MIP result, following the calculation method of Fractal theory, the pore structure will be quantitative described.

• Solar Energy
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• v.18 no.3
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• pp.9-14
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• 1998

The present solar energy concentrator is a 2-dimensional system that incorporates with a tubular absorber. A new design theory is developed on the basis of the generalized edge-ray principle. The result shows the increase of concentration ratio for the same acceptance angle as the basic CPC by a factor of $C_{new}=C_{cpc}\{1+(d/{\pi}r)\;sin^2{\theta}_c\}$. For example, if ${\theta}_c=30^{\circ}$, the new design offers the concentration of $2.0{\sim}2.72$, whereas $C_{cpc}=2$. The new system also provide a thin and light-weight design.

• The Transactions of the Korean Institute of Electrical Engineers C
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• v.54 no.7
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• pp.304-307
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• 2005

The $In_2S_3\;and\;In_2S_3:Co^{2+}$ thin films were grown by the spray Pyrolysis method. The thin films crystallized into tetragonal structures. The indirect energy band gap was 2.32ev for $In_2S_3\;and\;1.81eV\;for\;In_2S_3:Co^{2+}$ at 298K. The direct energy band gap was 2.67ev for $In_2S_3:Co^{2+}$ thin films. Impurity optical absorption peaks were observed for the $In_2S_3:Co^{2+}$ thin films. These impurity absorption peaks are assigned, based on the crystal field theory to the electron transitions between the energy levels of the $Co^{2+}$ ion sited in $T_{d}$ symmetry. The electrical conductivity($\sigma$), Hall mobility(${\mu}_H$), and carrier concentration (n) of the $In_2Se_3$ thin film were measured, and their temperature dependence was investigated.

• Communications of the Korean Mathematical Society
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• v.28 no.2
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• pp.269-283
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• 2013

In this paper, we investigate a stability of the functional equation $$\sum^3_{i=0}_3C_i(-1)^{3-i}f(ix+y)=0$$ by using the fixed point theory in the sense of L. C$\breve{a}$dariu and V. Radu.

• Bulletin of the Korean Chemical Society
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• v.12 no.3
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• pp.271-273
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• 1991

Poly (N-vinylcarbazole) was obtained spontaneously by 1,1,2,2-tetracyanocyclopropylstyrene(1) in polar solvents such as dichloromethane and acetonitrile at room temperature. The polymerization reactions were faster in more polar solvent and were not proceeded in less polar solvents such as chloroform and diethyl ether. The formation of poly (N-vinylcarbazole) was explained by bond-forming initiation theory, in which the initiating species are zwitterionic tetramethylene intermediates.

• Journal of the Korean Chemical Society
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• v.47 no.4
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• pp.325-333
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• 2003

The geometrical parameters, vibrational frequencies, and relative energies for 1,2-, 1,3-dioxetanes, and 1,3-cyclodisiloxane have been investigated using high level ab initio quantum mechanical techniques with large basis sets. The geometries have been optimized at the self-consistent field(SCF), the single and double excitation configuration interaction(CISD), the coupled cluster with single and double excitation(CCSD), and the CCSD with connected triple excitations[CCSD(T)] levels of theory. The highest level of theory employed in this study is TZ2P CCSD(T). Harmonic vibrational frequencies and IR intensities are also determined at the SCF level of theory with various basis sets and confirm that all the optimized geometries are true minima. Also zero-point vibrational energies have been considered to predict the dimerization energies for 1,2- and 1,3-isomers.