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In the case that the PB molecule is located on the minus (plus) side of the x2 axis near the CI point in the branching plane, the h01 is directed to the x1(-x 1) vector and the nuclear motion along the x1 vector promotes a nonadiabatic transition
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1 vector promotes a nonadiabatic transition.
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1 states is zero.
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1 states is zero.
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The two trajectories shown in Figures 9 and 10 are the same until 110.79 fs. The other trajectories leading to the Reverse and Forward reactions are shown in Figures S6 and S7 of the Supporting Information.
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The two trajectories shown in Figures 9 and 10 are the same until 110.79 fs. The other trajectories leading to the Reverse and Forward reactions are shown in Figures S6 and S7 of the Supporting Information.
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