Multistate hybrid time-dependent density functional theory with surface hopping accurately captures ultrafast thymine photodeactivation
收藏NIAID Data Ecosystem2026-03-11 收录
下载链接：
http://datadryad.org/dataset/doi%253A10.7280%252FD1Q08V
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资源简介：
Collected trajectories for paper "Multistate hybrid time-dependent density functional theory with surface hopping accurately captures ultrafast thymine photodeactivation".
Methods
Trajectories were simulated using Fewest Switches Surface Hopping (FSSH) combined with time-dependent density functional theory (TDDFT) as described in (to be submitted) paper.
创建时间：
2019-06-02
