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• W749691979 abstract "Spin-forbidden transitions of metal polypyridyl sensitizers are studied by the two-component relativistic time-dependent density functional theory with spin–orbit interaction based on Tamm–Dancoff approximation. The spin-forbidden transitions for a phosphine-coordinated Ru(II), DX1, as well as the modified DX1 complexes whose Ru is replaced with Fe and Os, are calculated. The role of the central metals in spin-forbidden transitions is discussed toward the exploration for new efficient sensitizers." @default.
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• W749691979 date "2015-08-01" @default.
• W749691979 modified "2023-10-07" @default.
• W749691979 title "Two-component relativistic time-dependent density functional theory study on spin-forbidden transitions for metal polypyridyl complexes" @default.
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• W749691979 doi "https://doi.org/10.1016/j.cplett.2015.06.057" @default.
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