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    Constraint Trajectory Surface-Hopping Molecular Dynamics Simulation of the Photoisomerization of Stilbene

    Constraint Trajectory Surface-Hopping Molecular Dynamics Simulation of the Photoisomerization of Stilbene by Yibo Lei, Shaomei Wu, Chaoyuan Zhu, Zhenyi Wen, Sheng-Hsien Lin

    Published 2014-01-01
    “…Combining trajectory surface hopping (TSH) method with constraint molecular dynamics, we have extended TSH method from full to flexible dimensional potential energy surfaces. …”
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