Quasiclassical trajectory and wave packet calculations for D + CaCl(X²Σ⁺; v_i = 0, j_i = 0) → DCl + Ca(¹S) reaction

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• 作者：Rui Shan Tan ; Wei Yan ; Shi Ying Lin ; ^{sylin@sdu.edu.cn}
• 刊名：Chemical Physics Letters
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：667
• 期：Complete
• 页码：180-186
• 全文大小：737 K
• 卷排序：667

文摘

Reaction dynamics calculations for D + CaCl reaction have been performed for the first time. Interesting reaction mechanisms and important isotope effects have been found for the title reaction.