• Bulletin of the Korean Chemical Society
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• v.21 no.7
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• pp.720-726
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• 2000

The analytic gradient method for the equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) energy has been extended to employ a reduced molecular orbital (MO) space. Not only the innermost core MOs but also some of the outermost virtua l MOs can be dropped in the reduced MO space, and a substantial amount of computation time can be reduced without deteriorating the results. In order to study the magnitudes and trends of the effects of the dropped MOs, the geometries and vibrational properties of the ground and excited states of BF, CO, CN, N2, AlCl, SiS, P2, BCl, AIF, CS, SiO, PN and GeSe are calculated with different sizes of molecular orbital space. The 6-31 G* and the aug-cc-pVTZ basis sets are employed for all molecules except GeSc for which the 6-311 G* and the TZV+f basis sets are used. It is shown that the magnitudes of the drop-MO effects are about $0.005\AA$ in bond lengths and about 1% on harmonic frequencies and IR intensities provided that the dropped MOs correspond to (1s), (1s,2s,2p), an (1s,2s,2p,3s,3p) atomic orbitals of the first, the second, and the third row atoms, respectively. The geometries and vibrational properties of the first and the second excited states of HCN and HNC are calculated by using a drastically reduced virtual MO space as well as with the well defined frozen core MO space. The results suggest the possibility of using a very smalI MO space for qualitative study of valence excited states.

• Journal of Korean Society for Quality Management
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• v.51 no.2
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• pp.171-184
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• 2023

Purpose: First, this paper suggests an alternative approach to find optimal portfolio (stocks, bonds and ESG stocks) under the maximizing utility of investors. Second, we include ESG stocks in our optimal portfolio, and compare improvement of welfares in the case with and without ESG stocks in portfolio. Methods: Our main method of analysis follows Brennan et al(2002), designed under the continuous time framework. We assume that the dynamics of stock price follow the Geometric Brownian Motion (GBM) while the short rate have the Vasicek model. For the utility function of investors, we use the Power Utility Function, which commonly used in financial studies. The optimal portfolio and welfares are derived in the partial equilibrium. The parameters are estimated by using Kalman filter and ordinary least square method. Results: During the overall analysis period, the portfolio including ESG, did not show clear welfare improvement. In 2017, it has slightly exceeded this benchmark 1, showing the possibility of improvement, but the ESG stocks we selected have not strongly shown statistically significant welfare improvement results. This paper showed that the factors affecting optimal asset allocation and welfare improvement were different each other. We also found that the proportion of optimal asset allocation was affected by factors such as asset return, volatility, and inverse correlation between stocks and bonds, similar to traditional financial theory. Conclusion: The portfolio with ESG investment did not show significant results in welfare improvement is due to that 1) the KRX ESG Leaders 150 selected in our study is an index based on ESG integrated scores, which are designed to affect stability rather than profitability. And 2) Korea has a short history of ESG investment. During the limited analysis period, the performance of stock-related assets was inferior to bond assets at the time of the interest rate drop.

• Asia pacific journal of information systems
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• v.22 no.4
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• pp.101-123
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• 2012

Currently, Social Media, it has widely a renown keyword and its related social trends and businesses have been fastly applied into various contexts. Social media has become an important research area for scholars interested in online technologies and cyber space and their social impacts. Social media is not only including web-based services but also mobile-based application services that allow people to share various style information and knowledge through online connection. Social media users have tendency to common identity- and bond-attachment through interactions such as 'thumbs up', 'reply note', 'forwarding', which may have driven from various factors and may result in delivering information, sharing knowledge, and specific experiences et al. Even further, almost of all social media sites provide and connect unknown strangers depending on shared interests, political views, or enjoyable activities, and other stuffs incorporating the creation of contents, which provides benefits to users. As fast developing digital devices including smartphone, tablet PC, internet based blogging, and photo and video clips, scholars desperately have began to study regarding diverse issues connecting human beings' motivations and the behavioral results which may be articulated by the format of antecedents as well as consequences related to contents that people create via social media. Social media such as Facebook, Twitter, or Cyworld users are more and more getting close each other and build up their relationships by a different style. In this sense, people use social media as tools for maintain pre-existing network, creating new people socially, and at the same time, explicitly find some business opportunities using personal and unlimited public networks. In terms of theory in explaining this phenomenon, social capital is a concept that describes the benefits one receives from one's relationship with others. Thereby, social media use is closely related to the form and connected of people, which is a bridge that can be able to achieve informational benefits of a heterogeneous network of people and common identity- and bonding-attachment which emphasizes emotional benefits from community members or friend group. Social capital would be resources accumulated through the relationships among people, which can be considered as an investment in social relations with expected returns and may achieve benefits from the greater access to and use of resources embedded in social networks. Social media using for their social capital has vastly been adopted in a cyber world, however, there has been little explaining the phenomenon theoretically how people may take advantages or opportunities through interaction among people, why people may interactively give willingness to help or their answers. The individual consciously express themselves in an online space, so called, common identity- or bonding-attachments. Common-identity attachment is the focus of the weak ties, which are loose connections between individuals who may provide useful information or new perspectives for one another but typically not emotional support, whereas common-bonding attachment is explained that between individuals in tightly-knit, emotionally close relationship such as family and close friends. The common identify- and bonding-attachment are mainly studying on-offline setting, which individual convey an impression to others that are expressed to own interest to others. Thus, individuals expect to meet other people and are trying to behave self-presentation engaging in opposite partners accordingly. As developing social media, individuals are motivated to disclose self-disclosures of open and honest using diverse cues such as verbal and nonverbal and pictorial and video files to their friends as well as passing strangers. Social media context, common identity- and bond-attachment for self-presentation seems different compared with face-to-face context. In the realm of social media, social users look for self-impression by posting text messages, pictures, video files. Under the digital environments, people interact to work, shop, learn, entertain, and be played. Social media provides increasingly the kinds of intention and behavior in online. Typically, identity and bond social capital through self-presentation is the intentional and tangible component of identity. At social media, people try to engage in others via a desired impression, which can maintain through performing coherent and complementary communications including displaying signs, symbols, brands made of digital stuffs(information, interest, pictures, etc,). In marketing area, consumers traditionally show common-identity as they select clothes, hairstyles, automobiles, logos, and so on, to impress others in any given context in a shopping mall or opera. To examine these social capital and attachment, we combined a social capital theory with an attachment theory into our research model. Our research model focuses on the common identity- and bond-attachment how they are formulated through social capitals: cognitive capital, structural capital, relational capital, and individual characteristics. Thus, we examined that individual online kindness, self-rated expertise, and social relation influence to build common identity- and bond-attachment, and the attachment effects make an impact on both the willingness to help, however, common bond seems not to show directly impact on information sharing. As a result, we discover that the social capital and attachment theories are mainly applicable to the context of social media and usage in the individual networks. We collected sample data of 256 who are using social media such as Facebook, Twitter, and Cyworld and analyzed the suggested hypotheses through the Structural Equation Model by AMOS. This study analyzes the direct and indirect relationship between the social network service usage and outcomes. Antecedents of kindness, confidence of knowledge, social relations are significantly affected to the mediators common identity-and bond attachments, however, interestingly, network externality does not impact, which we assumed that a size of network was a negative because group members would not significantly contribute if the members do not intend to actively interact with each other. The mediating variables had a positive effect on toward willingness to help. Further, common identity attachment has stronger significant on shared information.

• Journal of the Mineralogical Society of Korea
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• v.6 no.2
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• pp.116-121
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• 1993

A single crystla of zeolite $Na_{78}Rb_{28}-X$ (approximate composition) was prepared by exposing $Na_{92}-X$ at $350^{\circ}C$ to 0.1 Torr of rubidium vapor, and its structure was determined by single-crystal x-ray diffraction methods in the cubic space group, Fd3, ${\alpha}=25.045(4){\AA}$. The structure was refined to the final error indices $R_1=0.082$ and $R_2=0.084$ with 353 for which I>$3{\sigma}(I)$. Only about 28 of the 92 $Na^+$ ions per unit cell were reduced and only about 14 of the 28 $Na^0$ atoms produced were retained within the zeolite. A $Na_5{^{4+}}$ cluster is present within each sodalite cavity. It is a centered tetrahedron (like $CH_4$) with bond $length=2.80(2){\AA}$ and angle tetrahedral by symmetry, and shows the full symmetry of its site. $T_d$, at the center of the sodalite cavity. Each of the four terminal atoms of the $Na_5{^{4+}}$ cluster bond to three framework oxygens at $2.36(2){\AA}$. At the centers of some double 6-rings are sodium atoms which bridge linearly between $Na_5{^{4+}}$ clusters to form agglomerations such as short zig-zag chains $Na_5{^{4+}}$ clusters. Delocalized electrons, located primarily on the sodiums at centers of the sodalite and (likely) double-six-ring cavities, contribute to the stability of the clusters.

• Economic and Environmental Geology
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• v.56 no.5
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• pp.603-618
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• 2023

This study focused on evaluating the suitability of the WRK (waste repository Korea) bentonite as a buffer material in the SNF (spent nuclear fuel) repository. The U (uranium) adsorption/desorption characteristics and the adsorption mechanisms of the WRK bentonite were presented through various analyses, adsorption/desorption experiments, and kinetic adsorption modeling at various pH conditions. Mineralogical and structural analyses supported that the major mineral of the WRK bentonite is the Ca-montmorillonite having the great possibility for the U adsorption. From results of the U adsorption/desorption experiments (intial U concentration: 1 mg/L) for the WRK bentonite, despite the low ratio of the WRK bentonite/U (2 g/L), high U adsorption efficiency (>74%) and low U desorption rate (<14%) were acquired at pH 5, 6, 10, and 11 in solution, supporting that the WRK bentonite can be used as the buffer material preventing the U migration in the SNF repository. Relatively low U adsorption efficiency (<45%) for the WRK bentonite was acquired at pH 3 and 7 because the U exists as various species in solution depending on pH and thus its U adsorption mechanisms are different due to the U speciation. Based on experimental results and previous studies, the main U adsorption mechanisms of the WRK bentonite were understood in viewpoint of the chemical adsorption. At the acid conditions (＜pH 3), the U is apt to adsorb as forms of UO₂²⁺, mainly due to the ionic bond with Si-O or Al-O(OH) present on the WRK bentonite rather than the ion exchange with Ca²⁺ among layers of the WRK bentonite, showing the relatively low U adsorption efficiency. At the alkaline conditions (>pH 7), the U could be adsorbed in the form of anionic U-hydroxy complexes (UO₂(OH)₃^-, UO₂(OH)₄^2-, (UO₂)₃(OH)₇^-, etc.), mainly by bonding with oxygen (O^-) from Si-O or Al-O(OH) on the WRK bentonite or by co-precipitation in the form of hydroxide, showing the high U adsorption. At pH 7, the relatively low U adsorption efficiency (42%) was acquired in this study and it was due to the existence of the U-carbonates in solution, having relatively high solubility than other U species. The U adsorption efficiency of the WRK bentonite can be increased by maintaining a neutral or highly alkaline condition because of the formation of U-hydroxyl complexes rather than the uranyl ion (UO₂²⁺) in solution,and by restraining the formation of U-carbonate complexes in solution.

• Asia Marketing Journal
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• v.12 no.2
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• pp.53-81
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• 2010

Brand experience has received much attention from considerable marketing research. When consumers consume and use brands, they are exposed to various specific brand-related stimuli. These brand-related stimuli include brand identity and brand communications(e.g., colors, shapes, designs, slogans, mascots, brand characters) components. Brakus, Schmitt, and Zarantonello(2009) conceptualized brand experience as subjective and internal consumer responses evoked by brand-related stimuli. They demonstrated that brand experience can be broken down into four dimensions(sensory, affective, intellectual, and behavioral). Because experiences result from stimulations and lead to pleasurable outcomes, we expect consumers to want to repeat theses experiences. That is, brand experiences, stored in consumer memory, should affect brand loyalty. Consumers with positive experiences should be more likely to buy a brand again and less likely to buy an alternative brand(Fournier 1998; Oliver 1997). Brand attachment, one of dimensions of the consumer-brand relationship, is defined as an emotional bond to the specific brand(Thomson, MacInnis, and Park 2005). Brand attachment is target-specific bond between the consumer and the specific brand. Thus, strong attachment is attended by a rich set of schema that link the brand to the consumer. Previous researches propose that brand attachments should affect consumers' commitment to the brand. Brand experience differs from affective construct such as brand attachment. Brand attachment is based on interaction between a consumer and the brand. In contrast, brand experience occurs whenever there is a direct and indirect interaction with the brand. Furthermore, brand experience is not an emotional relationship concept. Brakus et al.(2009) suggest that brand experience may result in brand attachment. This study aims to distinguish brand experience dimensions and investigate the effects of brand experience on brand attachment and brand commitment. We test research problems with data from 265 customers having brand experiences in various product categories by using multiple regression and structural equation model. The empirical results can be summarized as follows. First, the paths from affective, behavior, and intellectual experience to the brand attachment were found to be positively significant whereas the effect of sensory experience to brand attachment was not supported. In the consumer literature, sensory experiences for consumers are often equated with aesthetic pleasure. Over time, these pleasure experiences can affect consumer satisfaction. However, sensory pleasures are not linked to attachment such as consumers' strong emotional bond(i.e., hot affect). These empirical results confirms the results of previous studies. Second, brand attachment including passion and connection influences brand commitment positively but affection does not influence brand commitment. In marketing context, consumers with brand attachment have intention to have a willingness to stay with the relationship. The results also imply that consumers' emotional attachment is characterized by a set of brand experience dimensions and consumers who are emotionally attached to the brand are committed. The findings of this research contribute to develop differences between brand experience and brand attachment and to provide practical implications on the brand experience management. Recently, many brand managers have focused on short-term view. According to this study, we suggest that effective brand experience management requires taking a long-term view of marketing decisions.

• Journal of the Korean Applied Science and Technology
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• v.22 no.1
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• pp.28-34
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• 2005

The structure of a carbon monoxide sorption complex of dehydrated fully $Ca^{2+}$-exchanged zeolite X, $|Ca_{46}(CO)_{27}|[Si_{100}Al_{92}O_{384}]$-FAU, has been determined in the cubic space group $Fd\;{\overline{3}}$ at $21^{\circ}C$ (a = 24.970(4) ) by single-crystal X-ray diffraction techniques. The crystal was prepared by ion exchange in a flowing stream of 0.05 M aqueous ${Ca(NO_3)_2}$ for three days, followed by dehydration at $400^{\circ}C$ and $2{\times}10^{-6}$ Torr for two days, and exposure to 100 Torr of zeolitically dry carbon monoxide gas at $21^{\circ}C$. The structure was determined in this atmosphere and was refined, using the 356 reflections for which $F_o$ > $4{\sigma}(F_o)$, to the final error indices $R_1$ = 0.059 and $wR_2$ = 0.087. In this structure, $Ca^{2+}$ ions occupy three crystallographic sites. Sixteen $Ca^{2+}$ ions fill the octahedral site I at the centers of hexagonal prisms (Ca-O = 2.415(7) ${\AA}$). The remaining 30 $Ca^{2+}$ ions are found at two nonequivalent sites II (in the supercages) with occupancies of 3 and 27 ions. Each of these $Ca^{2+}$ ions coordinates to three framework oxygens, either at 2.276(10) or 2.298(8) ${\AA}$, respectively. Twenty-seven carbon monoxide molecules have been sorbed per unit cell, three per supercage. Each coordinates to one of the latter 16 site-II $Ca^{2+}$ ions: C-Ca = 2.72(8) ${\AA}$. The imprecisely determined N-C bond length, 1.26(14) ${\AA}$, differs insignificantly from that in carbon monoxide(g), 1.13 ${\AA}$.

• Journal of the Korea Concrete Institute
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• v.20 no.3
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• pp.405-412
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• 2008

Six alkali-activated (AA) concrete mixes were tested to explore the significance and limitations of developing an environmental friendly concrete. Ground granulated blast-furnace slag and powder typed sodium silicate were selected as source material and an alkaline activator, respectively. The main parameter investigated was the replacement level of lightweight fine aggregate to the natural sand. Workability and mechanical properties of lightweight AA concrete were measured: the variation of slump with time, the rate of compressive strength development, the splitting tensile strength, the moduli of rupture and elasticity, the stress-strain relationship, the bond resistance and shrinkage strain. Test results showed that the compressive strength of lightweight AA concrete sharply decreased when the replacement level of lightweight fine aggregate exceeded 30%. In particular, the increase in the discontinuous grading of lightweight aggregate resulted in the deterioration of the mechanical properties of concrete tested. The measured properties of lightweight AA concrete were also compared, wherever possible, with the results obtained from the design equations specified in ACI 318-05 or EC 2, depending on the relevance, and the results predicted from the empirical equations proposed by Slate et al. for lightweight ordinary Portland cement concrete. The stress-strain curves of different concrete were compared with predictions obtained from the mathematical model proposed by Tasnimi. The measured mechanical properties of lightweight AA concrete generally showed little agreement with the predictions obtained from these equations.

• Korean Chemical Engineering Research
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• v.53 no.2
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• pp.247-252
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• 2015

ZSM-5 crystals grew on the surface of ${\alpha}$-SiC and ${\beta}$-SiC particles by hydrothermal synthesis method. SiC particles which were > $50{\mu}m$ of size were used, and oxide layer were developed on the surface of the particles to induce growth of ZSM-5 from the surface. Then, synthesis time and temperature condition were considered growing ZSM-5. In this study, oxide layer was formed on ${\beta}$-SiC at $900^{\circ}C$ in air, and it was controlled to grow ZSM-5 grew from the ${\beta}$-SiC surface with $150^{\circ}C$ synthesis condition. This is due to Si-O-Si or Si-O-Al bond, which is basic framework of ZSM-5 can be easily formed, from the silicon oxide film on the surface of ${\beta}$-SiC. When the synthesis temperature was $200^{\circ}C$, the size of ZSM-5 was increased, and it covered much area of the SiC surface with better crystal shapes with longer synthesis time.

• Korean Journal of Fisheries and Aquatic Sciences
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• v.35 no.2
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• pp.146-154
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• 2002

To assess the adsorption and removal mechanism of dissolved inorganic nutrients in seawater by scattering yellow loess, a laboratory experiment was conducted for the change of nutrient concentration in seawater during the course of time depending on particle size and scattered concentration of the yellow loess. Twenty four hours after the addition of yellow loess in the size range of 0 $\mu$m to 500 $\mu$m in seawater, the removal rate of dissolved inorganic phosphorus (DIP) was increased with increasing amount of yellow loess. There was little difference among the removal rates depending on the size of yellow loess. On average, $26\%$ of dissolved inorganic silicate was reduced for the same period. No greate difference among the removal rate depending on both size and amount of yellow loess was found. Our results suggested that the removal mechanism of DU seemed to be associated with mostly the chemical bond with iron. More than $99\%$ of initial DU concentration was likely to be removed by this mechanism. In the case of inorganic dissolved silicate, the removal mechanism was likely to be attributed to a cation exchange between the yellow loess and seawater.