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格鲁吉亚动车组于9月26日顺利下线

Direct Dynamics Study on the Unimolecular Decomposition Reactions of H_2FCS
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摘要 9月26日,南车南京浦镇车辆有限公司为格鲁吉亚制造的首批3列12辆动车组车辆顺利下线,当日从南车浦镇公司装车启程,从上海经水路运往格鲁吉亚。 A QCISD(T)/6-311++G(d,p)//B3LYP/6-311+G(d,p) method was employed to reveal the reaction mechanism and to predict the micro-dynamics character of the unimolecular decomposition of H2FCS. The rate constants of the reactions were evaluated by means of the classical transition state theory and the canonical variational transition state theory in which the small-curvature tunneling correction was included. The results indicate that H2FCS can decompose through several production channels to form ten small molecul...
作者 陈锋
出处 《机车电传动》 北大核心 2009年第6期9-9,共1页 Electric Drive for Locomotives
关键词 格鲁吉亚 动车组 下线 车辆 水路 H2FCS density functional theory (DFT) reaction mechanism rate constant
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