Acta Phys. -Chim. Sin. ›› 2004, Vol. 20 ›› Issue (02): 134-137.doi: 10.3866/PKU.WHXB20040205

• ARTICLE • Previous Articles     Next Articles

Effect Factors about Rotational Alignment by Multi-factors Nonlinear Analysis

Du Feng-Pei;Chen Lan;Cai Zun-Sheng;Zhao Xue-Zhuang   

  1. Applying Chemistry Department, China Agriculture University, Beijing 100094; Chemistry Department, Nankai University, Tianjin 300071
  • Received:2003-07-23 Revised:2003-09-19 Published:2004-02-15
  • Contact: Du Feng-Pei

Abstract: The classical trajectory calculation by Venus 95 and based on 48 extended London-Eying-Polanyi-Sato(LEPS) potential energy surfaces(PES) which have different topological-structure are carried out to study the dependence of the rotational alignment on the properties of PES and the reaction dynamic conditions. 58 samples are obtained. The dependence is studied by multi-factors nonlinear analysis based on these samples. By pattern recognition, the key factors are the mass of reagent, the width of exit of PES and the relative collision energy. We also found that the cross interaction between different factors have very important effect.

Key words: Molecular reaction dynamics, Rotational alignment, Pattern recognition