• Macromolecular Research
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• v.8 no.5
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• pp.224-230
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• 2000

Molecular mechanics technique has been used for finding energy-minimized conformation to understand the mechanism of yielding of glassy polymers in atomistic level. As a model polymer, amor- phous isotactic polypropylene (iPP) was generated by molecular mechanics and molecular dynamics methods. The stress-strain cone was successfully obtained by using molecular mechanics technique. The torsional angle distribution showed no significant change during extension, although the torsional angles of certain bonds in polymer backbone changed more largely than other bonds. No significant change in the van der Waals interaction is observed at yielding point, whereas the torsional angle energy starts to decrease at yield strain.

• Bulletin of the Korean Chemical Society
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• v.29 no.10
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• pp.1893-1897
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• 2008

We have performed DFT calculations to investigate the conformational characteristics and hydrogen bonds of the p-tert-butylcalix[5]arene (1) and p-tert-butylcalix[4]arene (2). The structures of different conformers of 1 were optimized by using B3LYP/6-31+G(d,p) method. The relative stability of the various conformers of 1 is in the following order: cone (most stable) > 1,2-alternate > partial-cone > 1,3-alternate. The relative stability of four conformers of 2 is in the following order: cone (most stable) > partial-cone > 1,2-alternate > 1,3-alternate. The primary factor affecting the relative stabilities of the various conformers of the 1 and 2 are the number and strength of the intramolecular hydrogen bonds. The hydrogen-bond distances are discussed based on different calculation methods.

• Journal of Radiopharmaceuticals and Molecular Probes
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• v.4 no.1
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• pp.11-15
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• 2018

Electrophilic fluorinating reagents are typically efficient for carbon-fluorine (C-F) bonds formation due to their higher reactivity even under mild condition. Thus, they have been playing an important role to improve C-F bonds formation reactions via direct fluorination reaction with electrophilic fluorinating reagents or transition metal catalysis. Advances on the recent fluorination methods are mainly results of $Selectfluor^{TM}$'s capability on facile fluorination. In this mini-review, we describe synthesis and application of four old yet popular electrophilic fluorinating reagents such as N-fluorobenzenesulfonimide (NFSI), N-fluoropyridinium salts, $Selectfluor^{TM}$, and N-fluorosultam.

• Journal of Radiation Protection and Research
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• v.45 no.1
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• pp.11-15
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• 2020

Background: There have been various studies to investigate the mechanisms of DNA damage from low-energy electrons. To understand the mechanism of these strand breaks, it is necessary to investigate the dissociation mechanism of the DNA constituents, that is, bases, sugars, and phosphates. Materials and Methods: We studied the dissociation of thymine base upon interaction with low-energy electrons. For this experiment, thymine powder was pressed onto the indium base and irradiated by 5 eV electrons. Results and Discussion: Non-irradiated and irradiated thymine samples were compared and analyzed using the X-ray photoelectron spectroscopic technique to analyze the dissociation patterns of the molecular bonds after low-energy electron irradiation of thymine. Conclusion: With 5 eV electron irradiation, C-C and N-C = O bonds are the primary dissociations that occur in thymine molecules.

• Journal of Ocean Engineering and Technology
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• v.24 no.1
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• pp.146-152
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• 2010

Recently, the applied frequency of composite materials was increased from the viewpoint of lightweight, high strength and low cost when a leisure boat and a fishing boatwere built. However, studies on the mechanical properties of composite material with ship are rare. Specially, a leisure boat and fishing boat with FRP had been built by hand lay-up method. However, the vacuum infusion method is rising recently for ship building. The manufactured these FRP plates were combined by using the adhesive. Therefore, in this study Cleavage peel strength, Shear strength and fatigue limit of adhesive bonds by tensileloading were estimated. From test results, the strengths of FRP specimens made by the vacuum infusion method are higher than that of the hand lay-up method.

• Journal of Information Display
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• v.1 no.1
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• pp.25-28
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• 2000

We propose a new in-situ fluorine passivation of poly-Si TFTs using excimer laser annealing to reduce the trap state density and improve reliability significantly. To investigate the effect of an in-situ fluorine passivation, we have fabricated fluorine-passivated p-channel poly-Si TFTs and examined their electrical characteristics and stability. A new in-situ fluorine passivation brought about an improvement in electrical characteristic. Such improvement is due to the formation of stronger Si-F bonds than Si-H bonds in poly-Si channel and $SiO_2$/Poly-Si interface.

• Proceedings of the KIEE Conference
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• 1993.11a
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• pp.234-236
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• 1993

Dielectric properties of low viscous silicone oils have been investigated as a function of frequency and The increase of polymerization degree was attributed to presence of Si-O-Si bonds and their increased dissociation factor. The application of the Clausius-Mosotti equation on the low viscous silicone oils, it has been previously assumed that the oils were dilute solutions of polar molecules. In the silicone oil the Si-o and O-Si bonds give dipole polarization. Simple relations have been found which dipole moment and activation energy as a function of number of Si atoms in the low viscous silicone oils.

• Bulletin of the Korean Chemical Society
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• v.26 no.2
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• pp.238-240
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• 2005

The enthalpies of transfer, ${\Delta}H_t{\Theta}$, of NaI from water to aqueous methanol, ethanol and isopropanol, iPrOH, systems are reported. These data have been analysed in terms of the new solvation theory. These data are considered in terms of the new developed solvation theory including variable ($\alpha$n + $\beta$N), the net effect of the solute on the solvent-solvent bonding, is positive if there is a net breaking or weakening of solvent-solvent bonds. The solvation parameters recovered from the analyses indicate that the net affect of NaI on solvent structure is a breaking of solvent-solvent bonds and that NaI is preferentially solvated by water in all aqueous alcohol systems considered. ($\alpha$n + $\beta$N) values increase with increasing in the size of the alcohol alkyl residue from methanol to iPrOH.

• Bulletin of the Korean Chemical Society
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• v.32 no.2
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• pp.498-502
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• 2011

The divergent synthesis of novel phosphorus-containing dendrimer with 4,4'-sulphonyldiphenol at the core has been accomplished involving simple condensation reactions using $P(O)Cl_3$, $P(S)Cl_3$, 3-amino-phenol, 3-hydroxy-benzaldehyde, and 2-butyn 1, 4-diol. The final compound was a Schiff's base macromolecule possessing 4 imine bonds, 8 acetylenic bonds and 8 OH groups at the periphery. The structures of intermediate compounds were confirmed by IR, NMR ($^1H$, $^{13}C$ and $^{31}P$), LC-Mass and C, H, N analysis. The structure of the final dendrimer (5) was confirmed by IR, NMR ($^1H$, $^{13}C$ and $^{31}P$), MALDI-TOF-MS, and C, H, N analysis. The surface morphological characteristics of the final dendrimer were understood by Scanning Electronic Microscopic study (SEM). The thermal stability of the final dendrimer was studied by TGA/DTA analysis.

• Proceedings of the Korea Technical Association of the Pulp and Paper Industry Conference
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• 1999.04b
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• pp.276-281
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• 1999

The surfaces of sheets added with N-chloro-polyacrylamide (N-Cl-PAM) are analyzed using X-ray photoelectron spectroscopy (XPS) to clarify the chemical bonding involved in the paper strength development induced by N-Cl-PAM. The comparison of the observed N1s chemical shift of the sheet with those of the paper strength additives and the model compound, 1-butyryl-3-propyl urea, illustrated the presence of covalent bonds of alkyl acyl urea and urethane on the fiber surfaces. Thus the formation of the covalent bonds by N-Cl-PAM themselves and by N-Cl-PAM with cellulose and hemicellulose may be an explanation for much higher effectiveness of N-Cl-PAM on the improvement of wet strength of paper than A-PAM.