Quasi-Classical Trajectory Study on O＋＋DH（v=0,j=0）→OD＋＋H Reaction at Different Collision Energy  

碰撞能对O＋＋DH（v=0，j=0）→OD＋＋H的准经典轨续

作　　者：孙海竹[1] 刘新国[1] 吕娟娟[1] 刘会荣[1] 

机构地区：[1]山东师范大学物理与电子科学学院,济南250014

出　　处：《Chinese Journal of Chemical Physics》2010年第5期521-526,621,共7页化学物理学报（英文）

摘　　要：The quasi-classical trajectory calculations O＋＋DH（v=0,j=0）→OD＋＋H reactions on the RODRIGO potential energy surface have been carried out to study the isotope effect on stereo-dynamics at the collision energies of 1.0, 1.5, 2.0, and 2.5 eV. The distributions of dihedral angle P（~r） and the distributions of P（Or） are discussed. Furthermore, the angular distributions of the product rotational vectors in the form of polar plot in θr and φr are calculated. The differential cross section shows interesting phenomenon that the reaction is dominated by the direct reaction mechanism. Reaction probability and reaction cross section are also calculated. The calculations indicate that the stereo-dynamics properties of the title reactions are sensitive to the collision energy.

关 键 词：Stereo-dynamics Quasi-classical trajectory method Polarization-dependentdifferential cross-section 

分 类 号：O[理学]