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用经典轨迹方法,在π-CI势能面水平上计算了烯酮光化二聚的Huckel途径和Mobius途径的非绝热耦合项。根据非绝热跃迁几率的Landau-Zener公式,定义η=lnP(H)/lnP(M)并用以讨论光化......
<正> The S1→S0 nonadiabatic coupling terms are calculated for different reaction modes of concerted [2 + 4] photocycloa......