33,124 research outputs found
2D-Delocalized vs Confined Diradicals
Resumen de la comunicación oral seleccionadaDiradicals are beautiful chemical objects where the more basic and intricate aspects of the chemical bonding are revealed.1 Not this being important enough, nowadays, diradical-based substrates are becoming very appealing for new organic electronic applications. We focus here in conjugated organic diradicals formed by competition between non-aromatic quinoidal structures and their canonical aromatic forms. How this quinoidal(closed-shell)-vs-aromatic(open-shell) energetic balance producing the diradical is affected by several situations has been our objective in the last few years.2 Now, we focusses on how the properties of diradicals are influenced when several diradical canonical forms are available in such a way that create a 2D (i.e., bidimensional) electron delocalization surface in which the diradical substructures are in cross-conjugation mode producing the curious effect of diradical confinement.3
Herein, the diradical molecular properties of compound 1 in Figure 1 will be discussed in connection with 2D delocalization, cross-conjugation and surface confinement.
1. Rajca, A., Chem. Rev., 1994, 94, 871; Abe, M., Chem. Rev. 2013, 113, 7011.
2. Zeng, Z.; X. Shi, L.; Chi, C.; Casado, J.; Wu, J. Chem. Soc. Rev. 2015, 44, 6578.
3. Yuan, D.; Huang, D.; Medina Rivero, S.; Carreras, A.; Zhang, C.; Zou, Y.; Jiao, X.;
McNeill, C.R.; Zhu, X.; Di, C.; Zhu, D.; Casanova, D.; Casado, J. CHEM, 2019, accepted.Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech
Circle packing and interpolation in Fock spaces
It was shown by James Tung in 2005 that if a sequence of points
in the complex plane satisfies then
is a sequence of interpolation for the Fock space . Using
results from circle packing, we show that the constant above can be improved to
which is strictly smaller than
. A similar result will also be obtained for sampling sequences.Comment: 7 page
DYNIQX: A novel meta-search engine for the web
The effect of metadata in collection fusion has not been sufficiently studied. In response to this, we present a novel meta-search engine called Dyniqx for metadata based search. Dyniqx integrates search results from search services of documents, images, and videos for generating a unified list of ranked search results. Dyniqx exploits the availability of metadata in search services such as PubMed, Google Scholar, Google Image Search, and Google Video Search etc for fusing search results from heterogeneous search engines. In addition, metadata from these search engines are used for generating dynamic query controls such as sliders and tick boxes etc which are used by users to filter search results. Our preliminary user evaluation shows that Dyniqx can help users complete information search tasks more efficiently and successfully than three well known search engines respectively. We also carried out one controlled user evaluation of the integration of six document/image/video based search engines (Google Scholar, PubMed, Intute, Google Image, Yahoo Image, and Google Video) in Dyniqx. We designed a questionnaire for evaluating different aspect of Dyniqx in assisting users complete search tasks. Each user used Dyniqx to perform a number of search tasks before completing the questionnaire. Our evaluation results confirm the effectiveness of the meta-search of Dyniqx in assisting user search tasks, and provide insights into better designs of the Dyniqx' interface
Statistical Exploration of Fragmentation Phase Space Source Sizes in Nuclear Multifragmentation
The multiplicity distributions for individual fragment Z values in nuclear
multifragmentation are binomial. The extracted maximum value of the
multiplicity is found to depend on Z according to m=Z_0/Z, where Z_0 is the
source size. This is shown to be a strong indication of statistical coverage of
fragmentation phase space. The inferred source sizes coincide with those
extracted from the analysis of fixed multiplicity charge distributions.Comment: 13 pages, 4 revised figures, some revised tex
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