【摘 要】
：
The calculation of H + H2 system by symplectic quasiclassical trajectory (SQCT) shows that there are two types of collision trajectories A and B, i.e., type A t
【机 构】
：
State Key Laboratory of Coordination Chemistry, present address: Department of Electronic Engineerin
论文部分内容阅读
The calculation of H + H2 system by symplectic quasiclassical trajectory (SQCT) shows that there are two types of collision trajectories A and B, i.e., type A trajectory passes the saddle point of transition state (TS), whereas type B trajectory does not pass the saddle point of transition state. Not all the reactants of type A trajectory are reactive, while not all of type B trajectory are nonreactive. The partition and reactivity of these two types of trajectories are affected by reactant state(R), furthermore, the types of trajectories affect the state and angle distributions of products. Not only the rudiment framework for theoretical study on state(R)-state(TS)-state(P) is established, but also the further understanding of transition state theory (TST) of Eyring is investigated in this paper.
其他文献
研究Lagrange系统在施加陀螺力后的Noether对称性与Lie对称性.给出系统在施加陀螺力后,可保持其Noether对称性与Noether守恒量的条件.给出系统在施加陀螺力后,可保持其Lie对
论述了红磷烟幕的成烟过程与遮蔽特性.在烟幕试验柜中测试了红磷烟幕对两种入射功率10.6 μm激光的质量消光系数和红磷烟幕的粒度分布规律;根据米氏散射理论计算了单个红磷烟
Fractal pore-size distribution K(x) is given based on J(x) function proposed by Jaronic. Activated carbon fibers (ACF) with different surface areas are characte
The expressions of matrix construction by using the singular value decomposition(SVD) are applied to the physics parameter identification of dynamic model. Then
A new complex [AG4(μ2-S-Mbo)4(dppp)4)](1) is obtained from the reaction of AgBF4 and Hmbo(2-mercaptobenzoxazole) with the participation of dppp(bis(diphenylpho
Bifurcation of periodic solutions widely existed in nonlinear dynamical systems isa kind of constrained one in intrinsic quality because its amplitude is always
The crystallization processes of hydrated Mg-borates, boric, magnesium hydroxide and Mg-oxychloride from MgO-B2O3-18%MgCl2-H2O supersaturated solution at 20℃ h
Actinomycin D (AMD) is an Received anticancer antibiotic that can bind selectively to both double-stranded and single-stranded DNA, and this binding greatly enh
The solution and computational aspects on nonlinear deflection of YongjiangRailway Bridge in Ningbo were investigated. An approximate iteration algorithm onnonl
The internal rotation potential energy curve around the glycosidic bond in 3′-azido-3′- deoxythymidine (AZT) molecule, an HIV-1 reverse transcriptase inhibito