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Previously, the MS‐CASPT2 method was performed to study the static and qualitative photophysics of tellurium‐substituted cytosine (TeC). To get quantitative information, we used our recently developed QTMF‐FSSH dynamics method to simulate the excited‐state decay of TeC. The CASSCF method was adopted to reduce the calculation costs, which was confirmed to provide reliable structures and energies as...
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