52 resultados para topological complexity
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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We present a systematic investigation of the nature and strength of the hydrogen bonding in HX···HX and CH3X…HX (X = Br, Cl and F) dimers using ab initio MP2/aug-cc-pVTZ calculations in the framework of the quantum theory of atoms in molecules (QTAIM) and electron localisation functions (ELFs) methods. The electron density of the complexes has been characterised, and the hydrogen bonding energy, as well as the QTAIM and ELF parameters, is consistent, providing deep insight into the origin of the hydrogen bonding in these complexes. It was found that in both linear and angular HX…HX and CH3X…HX dimers, F atoms form stronger HB than Br and Cl, but they need short (∼2 Å) X…HX contacts.
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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AIM: The purpose of this study was to examine the effect of intensive practice in table-tennis on perceptual, decision-making and motor-systems. Groups of elite (HL=11), intermediate (LL=6) and control (CC=11) performed tasks of different levels. METHODS: All subjects underwent to reaction-time-test and response-time-test consisting of a pointing task to targets placed at distinct distances (15 and 25-cm) on the right and left sides. The ball speed test in forehand and backhand condition just for HL and LL group. RESULTS: In CC group reaction time was higher compared to HL (P< 0.05) group. In the response-time-test, there was a significant main effect of distance (P< 0.0001) and the tennis-table expertise (P= 0.011). In the ball speed test the HL were constantly faster compared to the LL in both forehand stroke (P< 0.0001) and backhand stroke (P< 0.0001). Overall, the forehand stroke was significantly faster than the backhand stroke. CONCLUSION: We can conclude that table-tennis-players have shorter response-times than non-athletes and the tasks of reaction-time and response-time are incapable to distinguish the performance of well-trained table tennis players of the intermediate player, but the ball speed test seems be able to do it.