187,203 research outputs found
Model static structure factors and pair-correlation functions for the unpolarized homogeneous electron gas
No full textAIP conference proceedings series (V. Van Doren, C. Van Alsenoy, and P. Geerlings, Editors
Density-functional theory concepts and techniques for studying molecular charge distributions and related properties
No full textAugustinus-Lexicon. — édité par Cornelius Mayer. En association avec Erich Feldmann, Wilhelm Geerlings... Rédaction Karl Heinz Chelius ; Vol. 1. Fasc. 4 : Asinus-Bellum, 1990
No full textMoreau M. Augustinus-Lexicon. — édité par Cornelius Mayer. En association avec Erich Feldmann, Wilhelm Geerlings... Rédaction Karl Heinz Chelius ; Vol. 1. Fasc. 4 : Asinus-Bellum, 1990. In: Revue des Études Anciennes. Tome 93, 1991, n°1-2. p. 180
Author-wise bibliometric analysis based on entropy.
No full textAuthor-wise bibliometric analysis based on entropy.</p
Globalisation and deterritorialisation: an example of an academic discipline in the Malay Archipelago
No full textUnderstanding the cultural effects of the globalisation of knowledge is of central concern in higher education research. This reading maps an analytical space for research on cultural negotiations in academic disciplines. It re-reads Appadurai's theory of global imaginaries (1996) through Deleuze and Guattari's notion of deterritorialisation (1983; 1994; 2005), and applies it to the study of clinical psychology education in the Malay Archipelago. Deleuze and Guattari's deterritorialisation concept provides insights into the cultural subtleties of transnational education and the dynamics of change in academic disciplines. The case study illustrates that disciplines are themselves territories, changing from within, as well as with geographical movement. This analytic inquiry provides a preliminary mapping of clinical psychology territories in the Malay Archipelago through an anthropological approach, it concludes with directions for further research
Going Beyond Counting First Authors in Author Co-citation Analysis
No full textThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
Investigation of the chirality of enantiomers through information theory
No full textIn this work [1] we probed the Kullback-Leibler information entropy as a chirality
measure, as an extension of previous studies on molecular quantum similarity evaluated
for different enantiomers (enantiomers possessing two asymmetric centra in [2], with a
single asymmetric carbon atom in [3] and with a chiral axis in [4]). The entropy was
calculated using the shape functions of the R and S enantiomers considering one as
reference for the other, resulting in an information theory based expression useful for
quantifying chirality. It was evaluated for 5 chiral halomethanes possessing one
asymmetric carbon atom with H, F, Cl, Br and I as substituents. To demonstrate the
general applicability, a study of two halogen-substituted ethanes possessing two
asymmetric carbon atoms has been included as well. Avnir’s Continuous Chirality
Measure (CCM) [5] has been computed and confronted with the information deficiency.
By these means we quantified the dissimilarity of enantiomers and illustrated Mezey’s
Holographic Electron Density Theorem in chiral systems [6]. A comparison is made
with the optical rotation and with the Carbó similarity index.
As an alternative chirality index, we recently also calculated the information
deficiency in a way which is consistent with experiments as VCD spectroscopy and
optical rotation measurements. The entropy calculates the difference in information
between the shape function of one enantiomer and a normalized shape function of the
racemate. Comparing the latter index with the optical rotation reveals a similar trend.
[1] S. Janssens, A. Borgoo, C. Van Alsenoy, P. Geerlings, J. Phys. Chem. A, 112, 10560
(2008).
[2] S. Janssens, C. Van Alsenoy, P. Geerlings, J. Phys. Chem. A, 111, 3143 (2007).
[3] G. Boon, C. Van Alsenoy, F. De Proft, P. Bultinck, P. Geerlings, J. Phys. Chem. A,
110, 5114 (2006).
[4] S. Janssens, G. Boon, P. Geerlings, J. Phys. Chem. A, 110, 9267 (2006).
[5] H. Zabrodsky, D. Avnir, J. Am. Chem. Soc., 117, 462 (1995).
[6] P.G. Mezey, Mol. Phys., 96, 169 (1999)
Appropriate Similarity Measures for Author Cocitation Analysis
No full textWe provide a number of new insights into the methodological discussion about author cocitation analysis. We first argue that the use of the Pearson correlation for measuring the similarity between authors’ cocitation profiles is not very satisfactory. We then discuss what kind of similarity measures may be used as an alternative to the Pearson correlation. We consider three similarity measures in particular. One is the well-known cosine. The other two similarity measures have not been used before in the bibliometric literature. Finally, we show by means of an example that our findings have a high practical relevance.information science;Pearson correlation;cosine;similarity measure;author cocitation analysis
Dispelling the Myths Behind First-author Citation Counts
No full textWe conducted a full-scale evaluative citation analysis study of scholars in the XML research field to explore just how different from each other author rankings resulting from different citation counting methods actually are, and to demonstrate the capability of emerging data and tools on the Web in supporting more realistic citation counting methods. Our results contest some common arguments for the continued
use of first-author citation counts in the evaluation of scholars, such as high correlations between author rankings by first-author citation counts and other citation
counting methods, and high costs of using more realistic citation counting methods that are not well-supported by the ISI databases. It is argued that increasingly available digital full text research papers make it possible for citation analysis studies to go beyond what the ISI databases have directly supported and to employ more
sophisticated methods
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