Stereodynamics相关论文
Quantum wave-packet and quasi-classical trajectory studies of the reaction H(2S) + CH(X2(∏); v=0,j=1
The quantum mechanics (QM) and quasi-classical trajectory (QCT) calculations have been carried out for the title reactio......
Studies on the Stereodynamics of the O (3P) +H2 reaction have been performed via the Quasiclassical trajectory method (Q......
用 Deskevich 等报导的新地面状态 ab initio 势能表面，在反应 F+HClHF+Cl 和 F+DClDF+Cl 的产品极化被采用伪古典的轨道方法学习。......
基于Sayós等构建的基态势能面,运用准经典轨线方法对原子-分子反应K(2S)+HF(X1Σ+)→KF(X1Σ+)+H(2S)的立体动力学性质进行了研究......
This paper studies the quantum stereodynamics of the F + HD(v = 0,j= 0) → HD + F/HF + D reaction at the collision energ......
This paper investigates the stereodynamics of the reaction He+HD+ by the quasi-classical trajectory (QCT) method using t......
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,Effect of ro-vibrational excitation of NeH+ on the stereodynamics for the reactions H + NeH+ (v =1-
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,The stereodynamic properties of the F + HO (v, j) → HF + O reaction on 1A′ and 3A′ potential energy
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,Effects of the vibrational and rotational excitation of reagent on the stereodynamics of the reacti
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,Quasi-classical trajectory study of collision energy effect on the stereodynamics of H+BrO→O+HBr re
Quasi-classical trajectory (QCT) studies on the stereodynamics of H+BrO→O+HBr reaction have been performed on the X1A′......
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The polarization dependent differential cross sections of the reactions: H + LiH~+(v = 0, j = 0)→H_2
为探究吕家坨井田地质构造格局,根据钻孔勘探资料,采用分形理论和趋势面分析方法,研究了井田7......
为探究吕家坨井田地质构造格局,根据钻孔勘探资料,采用分形理论和趋势面分析方法,研究了井田7......
我们利用准经典轨线方法研究了反应物在不同转动态条件下对S（1D）＋H2→SH＋H反应立体动力学性质的影响.通过计算得到了描述反应物速度矢......
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The polarization dependent differential cross sections of the reactions:H+LiH~+(v=0,j=0)→H_2+Li~+ an
Quasi-classical trajectory(QCT) calculations have been carried out to study the generalized polarization dependent diffe......
采用准经典轨线方法,基于AP2势能面,我们系统研究了4.0 kcal/mol碰撞能条件下H＋LiF→HF＋Li和D＋LiF→DF＋Li反应的矢量相关性.我们获得了......
本文在扩展的London–Eyring–Polanyi–Sato（LEPS）势能面上,运用准经典轨线法在碰撞能Ecol=12.75kcal mol下对比研究了O＋CH4、O＋CD4与......
在ab initio势能面上利用非含时量子反应散射理论研究了S（^1D）＋D2反应在散射能为22.18 kJ·mol^-1时的立体动力学.计算的微分反应......
在扩展的London-Eyring-Polanyi-Sato（LEPS）势能面上，利用准经典轨线法研究了碰撞能为Ecol=6．0kcal／mol时C1与C3D6H2和C3H6D2反应．在质心......
运用准经典轨线方法（QCT）,基于Abrahamsson等构造的^4A＂势能面（Abrahamsson E Andersson S,Nyman G,Markovic N 2008 Phys.Chem.Chem.P......
基于新的LEPS势能面，初始碰撞能为12kcal／mol的条件下，用准经典轨线法研究了c1＋H：→HCl＋H的反应。理论计算了广义极化微分反应截面PDDCS......
利用准经典轨线方法，在势能面上研究了分子反应C＋H2→CH＋H的立体动力学性质。在不同碰撞能下计算了该反应的广义极化微分反应截面（PDDC......
基于准经典轨线方法SHVerbockhaven等人通过多参考组态相互作用计算建立的势能面研究了Ca＋HCl／Ca＋DCl／Ca＋TCl反应中的矢量相关效应．计算......
基于Ho等人的精确势能面（J．Chem．Phys．119，3063（2003））研究，运用准经典轨线方法计算了21．3kJ／mol碰撞能下反应N（^2D）＋H2→NH＋H和N（^2D）＋D2→ND＋D的产物......
用准经典轨线方法在Aguado-Paniagua2（AP2）势能面上计算了反应物转动量子态对H＋LiF→HF＋Li反应立体动力学的影响. 给出了关于产物和反......
