• 제목/요약/키워드: Cluster density

검색결과 532건 처리시간 0.026초

Computational Study of the Molecular Structure, Vibrational Spectra and Energetics of the OIO Cation

  • Lee, Sang-Yeon
    • Bulletin of the Korean Chemical Society
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    • 제25권12호
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    • pp.1855-1858
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    • 2004
  • Molecular geometries for the cationic and neutral species of OXO (X=Cl, Br, and I) are optimized using the Hartree-Fock (HF) theory, the second order Moller-Plesset perturbation theory (MP2), the density functional theory with the B3LYP hybrid functional (B3LYP), and the coupled cluster theory using single and double excitation with a perturbational treatment of triplet excitation (CCSD[T]) methods, with two basis sets of triple zeta plus polarization quality. The single point calculations for these species are performed at the CCSD(T,Full) level. The harmonic vibrational frequencies for these species are calculated at the HF, MP2, B3LYP and CCSD(T) levels. The adiabatic ionization potential for OIO is calculated to be 936.7 kJ/mol at the CCSD(T,Full) level and the correct value is estimated to be around 945.4 kJ/mol.

Effects of Amino Substitution on the Excited State Hydrogen Transfer in Phenol: A TDDFT Study

  • Kim, Sang-Su;Kim, Min-Ho;Kang, Hyuk
    • Bulletin of the Korean Chemical Society
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    • 제30권7호
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    • pp.1481-1484
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    • 2009
  • When isolated phenol or a small phenol-solvent cluster is excited to the $S_1\;state\;of\;{\pi}{\pi}^*$ character, the hydrogen atom of the hydroxyl group dissociates via a ${\pi}{\sigma}^*$ state that is repulsive along the O-H bond. We computationally investigated the substitution effects of an amino group on the excited state hydrogen transfer reaction of phenol. The time-dependent density functional theory (TDDFT) with B3LYP functional was employed to calculate the potential energy profiles of the ${\pi}{\pi}^*$ and the ${\pi}{\sigma}^*$ excited states along the O-H coordinate, together with the orbital shape at each point, as the position of the substituent was varied. It was found that the amino substitution has an effect of lowering the ${\pi}{\sigma}^*$ state and enhancing the excited state hydrogen transfer reaction.

Density Functional Theory Study of Acetonitrile -Water Clusters: Structures and Infrared Frequency Shifts

  • Ahn, Doo-Sik;Lee, Sung-Yul
    • Bulletin of the Korean Chemical Society
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    • 제28권5호
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    • pp.725-729
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    • 2007
  • We present calculations for the acetonitrile - water clusters to examine the nature of interactions in the mixed clusters. We calculate conformers of various composition, either of σ -type (-OH and -CN binding linearly) or π -type (-OH and -CN interacting perpendicularly) structures for the acetonitrile - water clusters. We predict that the IR frequency of the proton-accepting C≡N stretching mode red-shifts in the σ -type clusters and blueshifts in π -type conformers, whereas the proton-donating ?OH stretching frequency red-shifts in all cases. We find that this intriguing pattern also applies to the acetonitrile - water clusters of various molar ratio.

A NEW NON-PARAMETRIC APPROACH TO DETERMINE PROPER MOTIONS OF STAR CLUSTERS

  • PRIYATIKANTO, RHOROM;ARIFYANTO, MOCHAMAD IKBAL
    • 천문학논총
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    • 제30권2호
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    • pp.271-273
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    • 2015
  • The bulk motion of star clusters can be determined after careful membership analysis using parametric or non-parametric approaches. This study aims to implement non-parametric membership analysis based on Binned Kernel Density Estimators which takes into account measurements errors (simply called BKDE-e) to determine the average proper motion of each cluster. This method is applied to 178 selected star clusters with angular diameters less than 20 arcminutes. Proper motion data from UCAC4 are used for membership determination. Non-parametric analysis using BKDE-e successfully determined the average proper motion of 129 clusters, with good accuracy. Compared to COCD and NCOVOCC, there are 79 clusters with less than $3{\sigma}$ difference. Moreover, we are able to analyse the distribution of the member stars in vector point diagrams which is not always a normal distribution.

$H_2$ Formation from HI by the Ram Pressure

  • 정은정;김성은;정애리
    • 천문학회보
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    • 제37권2호
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    • pp.70.2-70.2
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    • 2012
  • Ram pressure is known as one of the most efficient mechanisms to deplete the atomic gas of galaxies in the cluster environment. However, the influence of the ram pressure on the molecular gas is not yet clear. Since the molecular gas resides in the galactic center, thus in the deeper potential well, and has higher surface density than the atomic hydrogen, it has been known as that the molecular gas is not easily affected and/or stripped away by the ICM-ISM interaction. To investigate the influence of the ram pressure on the gas properties of galaxies, we compare HI and $^{12}CO$(J=1-0) distribution of NGC 4654 which is experiencing on-going ram pressure and shows distinct HI, CO, optical, and $H_2$ features due to the ram pressure. We discuss the possibilities of H2 formation from HI by the ram pressure and also the star formation activities.

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A CLB-based CPLD Low-power Technology Mapping Algorithm considered a Trade-off

  • Youn, Choong-Mo;Kim, Jae-Jin
    • Journal of information and communication convergence engineering
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    • 제5권1호
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    • pp.59-63
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    • 2007
  • In this paper, a CLB-based CPLD low-power technology mapping algorithm considered a Trade-off is proposed. To perform low-power technology mapping for CPLDs, a given Boolean network has to be represented in a DAG. The proposed algorithm consists of three steps. In the first step, TD(Transition Density) calculation has to be performed. Total power consumption is obtained by calculating the switching activity of each node in a DAG. In the second step, the feasible clusters are generated by considering the following conditions: the number of inputs and outputs, the number of OR terms for CLB within a CPLD. The common node cluster merging method, the node separation method, and the node duplication method are used to produce the feasible clusters. In the final step, low-power technology mapping based on the CLBs packs the feasible clusters. The proposed algorithm is examined using SIS benchmarks. When the number of OR terms is five, the experiment results show that power consumption is reduced by 30.73% compared with TEMPLA, and by 17.11 % compared with PLA mapping.

사건명사의 네트워크 분석 (A Network Analysis of Event Nouns)

  • 김혜영;강범모;이도길
    • 한국정보과학회 언어공학연구회:학술대회논문집(한글 및 한국어 정보처리)
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    • 한국정보과학회언어공학연구회 2010년도 제22회 한글 및 한국어 정보처리 학술대회
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    • pp.94-99
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    • 2010
  • This paper is to present how a network between words is formed. Not only have we looked at the distributivity, frequency and strength in connections between related words, but we have also presented some way to shed lights on what this network means to linguistic and social studies. The target source is morpho-analysis components of Trends 21 corpus which cover all newspaper articles from lour major newspapers, including Chosun, Joongang, Donga, and Hankyoreh, issued between 2000 and 2008. Based on nodes, links, and their connectivity indexes - density, degree, and centralizations, we have been able to retrieve and cluster related words forming the network with 20 event nouns. To reduce noise, we have considered the words whose t-score is above 1.64. By conducting both network and statistical analyses, we have presented the network of each event noun.

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도시생태계 내 조류 종풍부도 증진을 위한 인간영향 및 교란가능성의 반영 (Consideration of human disturbance to enhance avian species richness in urban ecosystem)

  • 김윤정
    • 한국환경복원기술학회지
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    • 제24권5호
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    • pp.25-34
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    • 2021
  • Increase in avian species richness is one of the important issues of urban biodiversity policies, since it can promote diverse ecosystem services such as seed dispersal, education, and pollination. However, though human disturbance can significantly affect avian species richness, there are limited studies on the way to reflect the dynamics of floating population. Therefore, this study analyzed the spatial relationship between avian species richness, floating population, and vegetation cover using telecommunications information to identify the areas that requiring targeted monitoring and restoration action. Bivariate Local Moran's I was applied to identify LISA cluster map that showing representative biotopes, which reflect significant spatial relationship between species richness and population distribution. Edge density and distribution of ndvi were identified for evaluating relative adequacy of selected biotopes to strengthen the robust biodiversity network. This study offers insight to consider human disturbance in spatial context using innovative big data to increase the effectiveness of urban biodiversity measures.

A Study on Representative Skyline Using Connected Component Clustering

  • Choi, Jong-Hyeok;Nasridinov, Aziz
    • Journal of Multimedia Information System
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    • 제6권1호
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    • pp.37-42
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    • 2019
  • Skyline queries are used in a variety of fields to make optimal decisions. However, as the volume of data and the dimension of the data increase, the number of skyline points increases with the amount of time it takes to discover them. Mainly, because the number of skylines is essential in many real-life applications, various studies have been proposed. However, previous researches have used the k-parameter methods such as top-k and k-means to discover representative skyline points (RSPs) from entire skyline point set, resulting in high query response time and reduced representativeness due to k dependency. To solve this problem, we propose a new Connected Component Clustering based Representative Skyline Query (3CRS) that can discover RSP quickly even in high-dimensional data through connected component clustering. 3CRS performs fast discovery and clustering of skylines through hash indexes and connected components and selects RSPs from each cluster. This paper proves the superiority of the proposed method by comparing it with representative skyline queries using k-means and DBSCAN with the real-world dataset.

폐경 후 여성의 골다공증 유병 관련 요인 (Factors Related to Osteoporosis Prevalence in Postmenopausal Women)

  • 채현주
    • 근관절건강학회지
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    • 제28권2호
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    • pp.91-101
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    • 2021
  • Purpose: This study was conducted to identify factors related to osteoporosis prevalence in postmenopausal women. Methods: This study was a secondary analysis research using data from the Eighth Korea National Health and Nutrition Examination Survey (KNHANES VIII-1), 2019, which were downloaded from the KNHANES website. The subjects of this study were 1,791 postmenopausal women who participated in the KNHANES VIII-1, 2019. Data analysis was performed using the IBM SPSS 21.0 program and complex sample design analysis was performed considering factors such as weight, cluster, and strata. Results: Osteoporosis prevalence of in postmenopausal women was 17.5%. Factors related to osteoporosis prevalence were age (65~74 years old, ≥75 years old), house income (low), household type (one-person household), postmenopausal period (10~19 years), drinking (non-drinking). Conclusion: Interventions for osteoporosis prevention and management in postmenopausal women need to focus on women less than 10 years after menopause and one-person household women. Furthermore, it is necessary to expand bone density testing for the early detection of osteoporosis in postmenopausal women.