CO product distribution in the unimolecular dissociation of HCO

作     者：郭锐 赵新生 

作者机构：State Key Laboratory of Molecular Dynamic and Stable Structures and Institute of Physical Chemistry Peking University Beijing 100871 China 

出 版 物：《Science China Chemistry》 (中国科学（化学英文版）)

年 卷 期：2000年第43卷第5期

页      面：449-458页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 070301[理学-无机化学] 

基　　金：the National Natural Science Foundation of China(29673001,29892161) NKBRSF(G1999075305) 

主　　题：unimolecular dissociation HCO time-dependent symplectic method resonance state product distribution. 

摘      要：The unimolecular dissociation of HCO ground state was investigated with the time-dependent full-quantum symplectic propagation based on the newest potential energy surface of the system. Calculated energy and widths of HCO resonance states agree well with those in the literature. CO product distribution was systematically investigated. A simple model was presented to interpret the rovibrational distributions in HCO dissociation.