The excited-state double-proton transfer （ESDPT） mechanism of 2-amino-3-methoxypyridine and acetic acid com- plex is studied by the density functional theory （DFT） and time-dependent DFT with CAM-B3LYP functional....The excited-state double-proton transfer （ESDPT） mechanism of 2-amino-3-methoxypyridine and acetic acid com- plex is studied by the density functional theory （DFT） and time-dependent DFT with CAM-B3LYP functional. The complex is connected through two different types of inter-molecular hydrogen bonds. After photo-excitation, both hydrogen bonds get strengthened, which can facilitate the ESDPT reaction. The scanned potential energy curve along the proton transfer coordinate indicates that the ESDPT reaction proceeds in a stepwise pattern.展开更多
Congestion in wireless sensor networks (WSNs) not only causes severe information loss but also leads to excessive energy consumption. To address this problem, a novel scheme for congestion avoidance, detection and all...Congestion in wireless sensor networks (WSNs) not only causes severe information loss but also leads to excessive energy consumption. To address this problem, a novel scheme for congestion avoidance, detection and alleviation (CADA) in WSNs is proposed in this paper. By exploiting data characteristics, a small number of representative nodes are chosen from those in the event area as data sources, so that the source traffic can be suppressed proactively to avoid potential congestion. Once congestion occurs inevitably due to traffic mergence, it will be detected in a timely way by the hotspot node based on a combination of buffer occupancy and channel utilization. Congestion is then alleviated reactively by either dynamic traffic multiplexing or source rate regulation in accordance with the specific hotspot scenarios. Extensive simulation results under typical congestion scenarios are presented to illuminate the distinguished performance of the proposed scheme.展开更多
文摘The excited-state double-proton transfer （ESDPT） mechanism of 2-amino-3-methoxypyridine and acetic acid com- plex is studied by the density functional theory （DFT） and time-dependent DFT with CAM-B3LYP functional. The complex is connected through two different types of inter-molecular hydrogen bonds. After photo-excitation, both hydrogen bonds get strengthened, which can facilitate the ESDPT reaction. The scanned potential energy curve along the proton transfer coordinate indicates that the ESDPT reaction proceeds in a stepwise pattern.
基金Project supported by the National Natural Science Foundation of China (Nos. 60673180, 90412011 and 90612004)the International Science and Technology Cooperative Program of China (No. 2006DFA11080)+1 种基金the Research Program of Federal Ministry of Education and Research of Germany (No. 01BU0680)the Lion Project of Science Foundation of Ireland to Lei Shu (No. SFI/08/CE/ I1380)
文摘Congestion in wireless sensor networks (WSNs) not only causes severe information loss but also leads to excessive energy consumption. To address this problem, a novel scheme for congestion avoidance, detection and alleviation (CADA) in WSNs is proposed in this paper. By exploiting data characteristics, a small number of representative nodes are chosen from those in the event area as data sources, so that the source traffic can be suppressed proactively to avoid potential congestion. Once congestion occurs inevitably due to traffic mergence, it will be detected in a timely way by the hotspot node based on a combination of buffer occupancy and channel utilization. Congestion is then alleviated reactively by either dynamic traffic multiplexing or source rate regulation in accordance with the specific hotspot scenarios. Extensive simulation results under typical congestion scenarios are presented to illuminate the distinguished performance of the proposed scheme.
