• Title/Summary/Keyword: G-theory

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Hydrogen-Atom Abstraction Reaction of CF3CH2OCF3 by Hydroxyl Radical

  • Singh, Hari Ji;Mishra, Bhupesh Kumar;Rao, Pradeep Kumar
    • Bulletin of the Korean Chemical Society
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    • v.31 no.12
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    • pp.3718-3722
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    • 2010
  • Theoretical investigations are carried out on the title reaction by means of ab-initio and DFT methods. The optimized geometries, frequencies and minimum energy path are obtained at UB3LYP/6-311G(d,p) level. Single point energy calculations are performed at MP2 and MP4 levels of theory. Energetics are further refined by calculating the energy of the species with a modified Gaussian-2 method, G2M(CC,MP2). The rate constant of the reaction is calculated using Canonical Transition State Theory (CTST) utilizing the ab-initio data obtained during the present study and is found to be $5.47{\times}10^{-12}\;cm^3\;molecule^{-1}s^{-1}$ at 298 K and 1 atm.

The effect of multi-phase-lag and Coriolis acceleration on a fiber-reinforced isotropic thermoelastic medium

  • Alharbi, Amnah M.;Said, Samia M.;Othman, Mohamed I.A.
    • Steel and Composite Structures
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    • v.39 no.2
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    • pp.125-134
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    • 2021
  • The three-phase-lag model, thermoelasticity without energy dissipation (G-N II) theory and thermoelasticity with energy dissipation (G-N III) theory are applied to study the effect of rotation on a fiber-reinforced thermoelastic medium. The exact expressions for the physical quantities were obtained by using the normal mode analysis. The numerical results for the field quantities are given in the physical domain and illustrated graphically in the absence and presence of rotation, Coriolis acceleration as well as reinforcement parameters.

Fiber-reinforced micropolar thermoelastic rotating Solid with voids and two-temperature in the context of memory-dependent derivative

  • Alharbi, Amnah M.;Said, Samia M.;Abd-Elaziz, Elsayed M.;Othman, Mohamed I.A.
    • Geomechanics and Engineering
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    • v.28 no.4
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    • pp.347-358
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    • 2022
  • The main concern of this article is to discuss the problem of a two-temperature fiber-reinforced micropolar thermoelastic medium with voids under the effect rotation, mechanical force in the context four different theories with memory-dependent derivative (MDD) and variable thermal conductivity. The three-phase-lag model (3PHL), dual-phase-lag model (DPL), Green-Naghdi theory (G-N II, G-N III), coupled theory, and the Lord-Shulman theory (L-S) are employed to solve the present problem. Analytical expressions of the physical quantities are obtained by using Laplace-Fourier transforms technique. Numerical results are shown graphically and the results obtained are analyzed. The most significant points are highlighted.

REMARKS ON THE KKM STRUCTURES OF KHANH AND QUAN

  • Sehie Park
    • Nonlinear Functional Analysis and Applications
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    • v.28 no.1
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    • pp.123-134
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    • 2023
  • Since Knaster, Kuratowski, and Mazurkiewicz established their KKM theorem in 1929, it was first applied to topological vector spaces mainly by Fan and Granas. Later it was extended to convex spaces by Lassonde and to extensions of c-spaces by Horvath. In 1992, such study was called the KKM theory by ourselves. Then the theory was extended to generalized convex spaces or G-convex spaces. Motivated by such spaces, there have appeared several particular types of artificial spaces. In 2006 we introduced abstract convex spaces which contain all existing spaces appeared in the KKM theory. Later in 2014-2020, Khahn and Quan introduced "topologically based existence theorems" and the so-called KKM structure. In the present paper, we show that their structure is a particular type of already known KKM spaces.

A RELATIVE NAIELSEN COINCIDENCE NUMBER FOR THE COMPLEMENT, I

  • Lee, Seoung-Ho
    • Journal of the Korean Mathematical Society
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    • v.33 no.4
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    • pp.709-716
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    • 1996
  • Nielsen coincidence theory is concerned with the determinatin of a lower bound of the minimal number MC[f,g] of coincidence points for all maps in the homotopy class of a given map (f,g) : X $\to$ Y. The Nielsen Nielsen number $N_R(f,g)$ (similar to [9]) is introduced in [3], which is a lower bound for the number of coincidence points in the relative homotopy class of (f,g) and $N_R(f,g) \geq N(f,g)$.

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Computational Study on OH and Cl Initiated Oxidation of 2,2,2-Trifluoroethyl Trifluoroacetate (CF3C(O)OCH2CF3)

  • Singh, Hari Ji;Tiwari, Laxmi;Rao, Pradeep Kumar
    • Bulletin of the Korean Chemical Society
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    • v.35 no.5
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    • pp.1385-1390
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    • 2014
  • Hydrofluoroethers (HFEs) are developed as a suitable for the replacement of environmentally hazardous CFCs and are termed as third generation refrigerants. One of the major products of decomposition of HFEs in the atmosphere is a fluoroester. The present study relates to the OH and Cl initiated oxidation of $CF_3C(O)OCH_2CF_3$ formed from the oxidation of HFE-356mff. The latter is used as a solvent in the industry and reaches the atmosphere without any degradation. Kinetics of the titled molecule has been studied at MPWB1K/6-31+G(d,p) level of theory. Single point energy calculations have been made at G2(MP2) level of theory and barrier heights are determined. The rate constants are calculated using canonical transition state theory. Tunnelling correction are made using one-dimensional Eckart potential barrier. The rate constant calculated during the present study are compared with the experimental values determined using relative rate method and FTIR detection technique.

Investigating the Privacy Paradox in Facebook Based on Dual Factor Theory (페이스북에서의 프라이버시 패러독스 현상 연구 : 듀얼팩터이론을 중심으로)

  • Yu, Jae Ho;Lee, Ae Ri;Kim, Kyung Kyu
    • Knowledge Management Research
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    • v.17 no.1
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    • pp.17-47
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    • 2016
  • People use social network services (SNSs) for various purposes, for example, to share information, to express themselves, and to strengthen social relationships with others. Meanwhile, problems of personal information leakage and privacy infringement become a social issue and thus information privacy concerns about inappropriate collection and use of personal information increase in SNSs (e.g., Facebook). Although people have privacy concerns in SNSs, they behave in a contradictory way, voluntarily presenting themselves and disclosing personal information. This phenomenon is called 'privacy paradox'. Using dual factor theory, this study investigates the phenomenon of privacy paradox by looking into enablers (e.g., self-presentation) and inhibitors (e.g., information privacy concern) for continuous use of Facebook that can co-exist independently of each other. It also includes antecedents of self-presentation (i.e., narcissism, need for affiliation, involvement, and self-efficacy) and those of information privacy concern (i.e., previous experience of privacy infringement, privacy awareness, and privacy control). The results show that most hypothesized relationships were supported. These findings provide strategic implications for SNS providers who want to promote continuous use of SNS. Under the current circumstances in which enhanced privacy policies are required, this study would be a useful reference for future research on information privacy issues in SNSs.

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Hyeongok's Bobee-tang was Combined according to the Theory for Properties and Tastes of Herbal Medicines (현곡(玄谷) 보비탕(補脾湯)의 구성한약과 그 기미배오(氣味配伍) 분석)

  • Eom, Hyun-Sup;Seo, Bu-Il;Kim, Gyeong-Cheol;Shin, Soon-Shik
    • Journal of Physiology & Pathology in Korean Medicine
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    • v.22 no.2
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    • pp.277-281
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    • 2008
  • The objectives of this study lie in theoretical establishment of Bobee-tang for curing the asthenic syndrome of spleen through analyzing the component medicines and combination principles of Hyeongok's Bobee-tang, and furthermore, maximizing the clinical use of Bobee-tang. This study analyzed the component medicines and combination principles of Hyeongok's Bobee-tang based on the theory for properties and tastes of herbal medicines from the ${\ulcorner}$Yellow Emperor's Canon of Internal Medicine${\lrcorner}$, the theory for principal herbal medicine, assistant herbal medicine, adjuvant herbal medicine, dispatcher herbal medicine, and the five elements doctrine. Hyeongok's Bobee-tang is an odd prescription, composed of 7 kinds of ingredients : No.1 Radix Ginseng (2don;7.5 g), No.2 Rhizoma Atractylodis Macrocephalae (1don;3.75 g), No.3 Carapax Et Plastrumtestudinis (1don), No.4 Concha Ostreae (1don), No.5 Cortex Cinnamomi (1don), No.6 Rhizoma Zingiberis Praeparatae (1don), and No.7 Radix Glycyrrhizae (1don). First, to cure the asthenic syndrome of the spleen, the methods of invigorating the spleen and the heart, and purging the liver should be used according to the five elements doctrine. Secondly, herbal medicines appropriate for those treatment methods should be chosen according to the theory for properties and tastes of herbal medicine and thirdly, the combination of those herbal medicines should be carried out according to the theory for principal herbal medicine, assistant herbal medicine, adjuvant herbal medicine, dispatcher herbal medicine. As a good example, Hyeongok's Bobee-tang is combined according to the above theories. In conclusion, this formula was created by applying to the theory for properties and tastes of herbal medicines.