为研究带电粒子(H_3O^+,OH^-,NO_2^+ and NO^+)对1,1-二氨基-2,2-二硝基乙烯(FOX-7)裂解通道的影响,采用密度泛函理论的B3LYP、B3PW91和PBE0泛函理论在6-31++G(d,p)基组下优化出了H_3O^+,OH^-,NO_2^+ 和 NO^+分别与FOX-7的复合体,从成...为研究带电粒子(H_3O^+,OH^-,NO_2^+ and NO^+)对1,1-二氨基-2,2-二硝基乙烯(FOX-7)裂解通道的影响,采用密度泛函理论的B3LYP、B3PW91和PBE0泛函理论在6-31++G(d,p)基组下优化出了H_3O^+,OH^-,NO_2^+ 和 NO^+分别与FOX-7的复合体,从成键方式和静电势变化的角度分析了复合方式。在相同水平下,计算了各复合体不同裂解通道的活化能,并基于键长、键级、成键方式等电子结构参数的变化分析了活化能变化的本质。结果表明,在B3LYP/6-31++G(d,p)水平上,OH^-使两种构型C—NH_2键的离解能分别下降了260.7 k J·mol-1和74.3 k J·mol-1,H_3O^+,NO_2^+ 和 NO^+使C—NO_2键的离解能下降44~260 k J·mol-1,带电粒子使大部分复合体C—C键的离解能提高,但对硝基异构的活化能影响甚微,由过渡态分析可知,这源于硝基异构的过渡态具有的极其相似的几何构型。四种带电粒子都扰乱了单分子FOX-7相对稳定的结构,降低了FOX-7后续裂解的能垒,影响了FOX-7裂解中后期自加速反应的进程。展开更多
Let s and z be complex variables, Γ(s) be the Gamma function, and for any complex v be the generalized Pochhammer symbol. Wright Type Hypergeometric Function is defined (Virchenko et al. [1]), as: where which is a di...Let s and z be complex variables, Γ(s) be the Gamma function, and for any complex v be the generalized Pochhammer symbol. Wright Type Hypergeometric Function is defined (Virchenko et al. [1]), as: where which is a direct generalization of classical Gauss Hypergeometric Function 2F1(a,b;c;z). The principal aim of this paper is to study the various properties of this Wright type hypergeometric function 2R1(a,b;c;τ;z);which includes differentiation and integration, representation in terms of pFq and in terms of Mellin-Barnes type integral. Euler (Beta) transforms, Laplace transform, Mellin transform, Whittaker transform have also been obtained;along with its relationship with Fox H-function and Wright hypergeometric function.展开更多
Home range studies have been focused on determining home range size and utilization distribution. However,most analysis have failed to take into account the activity and function of the animals while using their home ...Home range studies have been focused on determining home range size and utilization distribution. However,most analysis have failed to take into account the activity and function of the animals while using their home ranges. We radio tracked 3 Tibetan foxes(Vulpes ferrilata) during April 2006,September-October 2006,March-May 2007,September-October 2007 and March-April 2008 in Dulan County,Qinghai Province,China. Based on the behaviors and spatial distributions of resource use,we partitioned home ranges into 4 main functional regions:core active region,core inactive region,peripheral active region,and peripheral inactive region. We measured biological characteristics of each region. Core active regions were smaller than core inactive regions,and the peripheral active regions were larger than peripheral inactive regions. Plateau pika(Ochotona curzoniae) densities in both the core active region and peripheral active region were significantly higher than those in counterpart inactive regions. Compared with core inactive regions,core active regions were more likely to be located in areas with gentle slopes,lower elevations and lower positions on slopes. Compared with peripheral inactive regions,lower slope positions were preferred by Tibetan foxes for peripheral active areas,whereas slope and elevation did not differ.展开更多
The Fox function expression and the analytic expression for the concentration distribution of fractional anomalous diffusion caused by an instantaneous point source in n-dimensional space (n= 1, 2 or 3) are derived by...The Fox function expression and the analytic expression for the concentration distribution of fractional anomalous diffusion caused by an instantaneous point source in n-dimensional space (n= 1, 2 or 3) are derived by means of the condition of mass conservation , the time-space similarity of the solution , Mellin transform and the properties of the Fox function . And the asymptotic behaviors for the solutions are also given .展开更多
文摘为研究带电粒子(H_3O^+,OH^-,NO_2^+ and NO^+)对1,1-二氨基-2,2-二硝基乙烯(FOX-7)裂解通道的影响,采用密度泛函理论的B3LYP、B3PW91和PBE0泛函理论在6-31++G(d,p)基组下优化出了H_3O^+,OH^-,NO_2^+ 和 NO^+分别与FOX-7的复合体,从成键方式和静电势变化的角度分析了复合方式。在相同水平下,计算了各复合体不同裂解通道的活化能,并基于键长、键级、成键方式等电子结构参数的变化分析了活化能变化的本质。结果表明,在B3LYP/6-31++G(d,p)水平上,OH^-使两种构型C—NH_2键的离解能分别下降了260.7 k J·mol-1和74.3 k J·mol-1,H_3O^+,NO_2^+ 和 NO^+使C—NO_2键的离解能下降44~260 k J·mol-1,带电粒子使大部分复合体C—C键的离解能提高,但对硝基异构的活化能影响甚微,由过渡态分析可知,这源于硝基异构的过渡态具有的极其相似的几何构型。四种带电粒子都扰乱了单分子FOX-7相对稳定的结构,降低了FOX-7后续裂解的能垒,影响了FOX-7裂解中后期自加速反应的进程。
文摘Let s and z be complex variables, Γ(s) be the Gamma function, and for any complex v be the generalized Pochhammer symbol. Wright Type Hypergeometric Function is defined (Virchenko et al. [1]), as: where which is a direct generalization of classical Gauss Hypergeometric Function 2F1(a,b;c;z). The principal aim of this paper is to study the various properties of this Wright type hypergeometric function 2R1(a,b;c;τ;z);which includes differentiation and integration, representation in terms of pFq and in terms of Mellin-Barnes type integral. Euler (Beta) transforms, Laplace transform, Mellin transform, Whittaker transform have also been obtained;along with its relationship with Fox H-function and Wright hypergeometric function.
文摘Home range studies have been focused on determining home range size and utilization distribution. However,most analysis have failed to take into account the activity and function of the animals while using their home ranges. We radio tracked 3 Tibetan foxes(Vulpes ferrilata) during April 2006,September-October 2006,March-May 2007,September-October 2007 and March-April 2008 in Dulan County,Qinghai Province,China. Based on the behaviors and spatial distributions of resource use,we partitioned home ranges into 4 main functional regions:core active region,core inactive region,peripheral active region,and peripheral inactive region. We measured biological characteristics of each region. Core active regions were smaller than core inactive regions,and the peripheral active regions were larger than peripheral inactive regions. Plateau pika(Ochotona curzoniae) densities in both the core active region and peripheral active region were significantly higher than those in counterpart inactive regions. Compared with core inactive regions,core active regions were more likely to be located in areas with gentle slopes,lower elevations and lower positions on slopes. Compared with peripheral inactive regions,lower slope positions were preferred by Tibetan foxes for peripheral active areas,whereas slope and elevation did not differ.
基金the National Natural Science Foundation of China (10272067) the Doctoral Foundation of Education Ministry of China (1999042211)
文摘The Fox function expression and the analytic expression for the concentration distribution of fractional anomalous diffusion caused by an instantaneous point source in n-dimensional space (n= 1, 2 or 3) are derived by means of the condition of mass conservation , the time-space similarity of the solution , Mellin transform and the properties of the Fox function . And the asymptotic behaviors for the solutions are also given .
