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• W2073626939 abstract "In this work we have performed a calculation on the rate constant of intersystem crossing T1 → S0 in thiophosgene, using a modified golden rule expression and a set of specific symmetrized vibrational coordinates for description of the potential energy surface (PES) and basis vibrational wavefunctions in both electronic states. The results from the present calculation were compared to those obtained previously using a different theoretical approach, as well as to experimentally measured data." @default.
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• W2073626939 date "2007-06-01" @default.
• W2073626939 modified "2023-09-23" @default.
• W2073626939 title "On the T1→S0 intersystem crossing rate constant in thiophosgene" @default.
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• W2073626939 doi "https://doi.org/10.1016/j.cplett.2007.04.093" @default.
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