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Novel potential energy surface-based quantum dynamics of ion–molecule reaction O~++ D_2→OD~++ D 下载免费PDF全文
According to a novel electronic ground-state potential energy surface of H_2O~+(X~4 A~'),we calculate the reaction probabilities and the integral cross section for the titled reaction O+~+ D_2→OD~++ D by the Chebyshev wave packet propagation method.The reaction probabilities in a collision-energy range of 0.0 e V–1.0 e V show an oscillatory structure for the O~++ D_2 reaction due to the existence of the potential well.Compared with the results of Mart′?nez et al.,the present integral cross section is large,which is in line with experimental data. 相似文献
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