This paper presents an ab initio direct dynamics study of thermal rate constants of the hydrogen abstraction reaction of CH2N+HONOCH2NH+NO2.Bhandhylp/6-31+g(d,p) methods were employed to optimize the geometries of all stationary points and to calculate the minimum energy path(MEP).
The optimized geometries,frequencies and minimum energy path(MEP) is obtained at the BH&H-LYP/6-311G(2d,2p) level,and energetic information is further refined at the MC-QCISD(single-point) level.
As zero-temperature string method, the adaptive zero-temperature string method only requires the computation of the gradient of the potential, and makes any initial string converge to the minimal energy path and the error be or smaller.
By a filtering scale dissociation technique the link between the quasi-stationary planetary PNA and EAP teleconnection wavetrain and the rainfall and temperature abnormalities in the wet season is described, further revealing the energy propagating path with its mechanism of the meridional wavetrain prior to the advent of the rainy span.
SA_MCP first uses a non-linear energy function to convert multiple QoS weights to a single metric and then seeks to find a feasible path by simulated annealing.
We propose a distributed topology control algorithm for constructing a wireless network topology with the minimum-energy property,namely,it preserves a minimum-energy path between every pair of nodes.
By adjusting the transmission power of each node, this algorithm constructs a wireless network topology with minimum-energy property, i.e., it preserves a minimum-energy path between every pair of nodes.
The LEPS potential energy surface is employed in the study, which is obtained from theab initio results and has an early saddle point in the minimum energy path.
The minimum-energy path for the reaction MTP + H2O → MDP + Pi is consistent with a two-stage dissociative process in the absence of Mg2+ and with a one-stage mechanism in the presence of Mg2+.
Global-local minimum transitions and the minimum energy path to dissociation of the dimer were also characterized.
The minimum energy path between the two lowest minima of the conformational energy surface consists of a pure inversion section and a section which is mostly rotation.
The paper investigates the teleconnection pattern features of the monthly mean circulation abnormality in the period previous to the wet or dry season with abundant or little precipitation and the teleconnection relationship between the atmospheric circulation pattern and the subsequent dryness/ wetness and temperature anomaly in North Chinal results show that the rainfall quantity bears a close relation to the meridional wavetrain characteristics of the previous-period teleeonnection. By a filtering scale dissociation...
The paper investigates the teleconnection pattern features of the monthly mean circulation abnormality in the period previous to the wet or dry season with abundant or little precipitation and the teleconnection relationship between the atmospheric circulation pattern and the subsequent dryness/ wetness and temperature anomaly in North Chinal results show that the rainfall quantity bears a close relation to the meridional wavetrain characteristics of the previous-period teleeonnection. By a filtering scale dissociation technique the link between the quasi-stationary planetary PNA and EAP teleconnection wavetrain and the rainfall and temperature abnormalities in the wet season is described, further revealing the energy propagating path with its mechanism of the meridional wavetrain prior to the advent of the rainy span.
As a challenging problem of the upcoming next-generation networks, multi-constrained quality-of- service routing (QoSR) is to find a feasible path that satisfies the multiple constraints simultaneously. For the NP complete problem, the heuristic SA_MCP by applying the simulated annealing to Dijkstra抯 algorithm is proposed. SA_MCP first uses a non-linear energy function to convert multiple QoS weights to a single metric and then seeks to find a feasible path by simulated annealing. This paper overviews the simulated...
As a challenging problem of the upcoming next-generation networks, multi-constrained quality-of- service routing (QoSR) is to find a feasible path that satisfies the multiple constraints simultaneously. For the NP complete problem, the heuristic SA_MCP by applying the simulated annealing to Dijkstra抯 algorithm is proposed. SA_MCP first uses a non-linear energy function to convert multiple QoS weights to a single metric and then seeks to find a feasible path by simulated annealing. This paper overviews the simulated annealing method and analyzes the issues when it is applied to QoSR. Extensive simulations show the following conclusions: (1) SA_MCP has a high performance w.r.t. routing success ratio. (2) It has a good scalability in both network scale and weight number k. (3) It is insensitive to the distribution of QoS constraints. Furthermore, when most QoS requests are feasible, the running time of SA_MCP is about O(k(m+nlogn)), which is k times that of the traditional Dijkstra抯 algorithm.
The cross sectional area of the coronary artery was computed using intra-vascular ultrasound (IVUS) video images. With this method, the search range for the inner arterial wall was firstly determined from the continuity of IVUS video frames. Then the internal and external energy was calculated to describe the smoothness of the arterial wall and the grayscale variation of ultrasound images respectively. Finally, the maximal energy path, which was the optimum contour of the arterial wall, was obtained using a...
The cross sectional area of the coronary artery was computed using intra-vascular ultrasound (IVUS) video images. With this method, the search range for the inner arterial wall was firstly determined from the continuity of IVUS video frames. Then the internal and external energy was calculated to describe the smoothness of the arterial wall and the grayscale variation of ultrasound images respectively. Finally, the maximal energy path, which was the optimum contour of the arterial wall, was obtained using a dynamic programming (DP) method. In this paper, a novel form of the external energy was proposed, which integrated the gradient and variant of the grayscale image. In comparison with the traditional external energy form which only counted the image gradient, the robustness and accuracy of this method were apparently improved in the measurement of the cross sectional area of the coronary artery.