A recently proposed local Fukui function is used to predict the binding site of atomic hydrogen on silicon clusters. To validate the predictions, an extensive search for the more stable SinH (n=3-10) clusters has been done using a modified genetic algorithm. In all cases, the isomer predicted by the Fukui function is found by the search, but it is not always the most stable one. It is discussed...

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* Department of Radiology, Shimane Medical University, Izumo 693, Japan. ** Department of Environmental Technology , Fukui Institute of Technology, Fukui 910, Japan. *** Department of Experimental Radiology and Health Physics, Fukui Medical Univer sity School of Medicine, Fukui 910-11. Japan. **** Department of Experimental Radiology , Faculty of Medicine, Kyoto University, kyoto 606, Japan. (R...

1 Department of Bioscience, Fukui Prefectural University, Eiheiji, Fukui 910–1195, Japan 2 Biological Science Laboratories, KAO Corporation, 2606 Akabane, Ichikai-machi, Haga-gun, Tochigi 321–3497, Japan 3 Department of Physics, Graduate School of Engineering, Yokohama National University, 79–5 Tokiwadai, Hodogaya-ku, Yokohama 240–8501, Japan 4 Department of Molecular Biology and Chemistry, Uni...

Fukui functions have been calculated for large numbers of organic molecules, and were found to always be positive. Numeric and algebraic considerations allowed the identification of several boundary conditions for negative values for Fukui functions. Negative Fukui functions are found to be very unlikely, except when very short interatomic distances are present. Recent hypotheses concerning the...

The Fukui-Todo algorithm is an important element of the array simulational approaches to tackling critical phenomena in statistical physics. partition-function-zero approach fundamental importance understanding such and a precise tool measure their properties. However, because bypasses sample-by-sample energy computation, zeros cannot easily be harnessed through distribution. Here this obstacle...

*Department of Materials Science and Engineering , Graduate School of Engineering, University of Fukui, 3-9-1 Bunkyo, Fukui 910-8507, Japan **Department of Frontier Fiber Technology and Science, Graduate School of Engineering, University of Fukui, 3-9-1 Bunkyo, Fukui 910-8507, Japan ***Department of Cosmeceutic and Tsuzuki Institute for Traditional Medicine , China Medical University, No. 91 Hs...

The main interaction between pyridine and zeolites leads to form a hydrogen bond between the N atom of pyridine and OH groups of zeolites. The present work reports a theoretical study about the structural, vibrational and topological properties of the charge distribution of the molecular complexes between pyridine and a series of acids sites of zeolites. The calculated structural parameters...

Career Design Laboratory for Gender Equality, Kanazawa University, Kakuma-machi, Kanazawa 920-1192, Japan 1The National Institute of Vocational Rehabilitation, 3-1-3 Wakaba, Mihama-ku, Chiba 261-0014, Japan 2Graduate School of Engineering, University of Fukui, 3-9-1 Bunkyo, Fukui 910-8507, Japan 3Faculty of Regional Science, Tottori University, 4-101 Koyama-cho Minami, Tottori 680-8550, Japan 4...

Motion Segmentation and Recognition for Imitation Learning and Influence of Bias for Learning Walking Motion of Humanoid Robot Based on Human Demonstrated Motion Yasutake Takahashi∗, Hiroki Hatano∗, Yosuke Maida∗∗, Kazuyuki Usui∗∗, and Yoichiro Maeda∗∗∗ ∗Department of Human and Artificial Intelligent Systems, Graduate School of Engineering, University of Fukui 3-9-1 Bunkyo, Fukui, Fukui 910-850...