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Citation: Du Feng-Pei, Chen Lan, Cai Zun-Sheng, Zhao Xue-Zhuang. Effect Factors about Rotational Alignment by Multi-factors Nonlinear Analysis[J]. Acta Physico-Chimica Sinica, ;2004, 20(02): 134-137. doi: 10.3866/PKU.WHXB20040205 shu

Effect Factors about Rotational Alignment by Multi-factors Nonlinear Analysis

1.
Applying Chemistry Department, China Agriculture University, Beijing　100094; Chemistry Department, Nankai University, Tianjin　300071

Received Date: 23 July 2003
Available Online: 15 February 2004

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.
- Molecular reaction dynamics;Rotational alignment;Pattern recognition
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