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18 lines
1.5 KiB
Plaintext
18 lines
1.5 KiB
Plaintext
# Molecule : Triazine
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# Comment :
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# code :
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# method : Th.$^h$,Litt.
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# geom :
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# DOI :
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# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
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####################### ####################### ######################################## ############# ####### ################### ##############
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# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
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1 1 A_1 1 1 A_1'' (n \rightarrow \pi^\star) 4.70 _ _ false
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1 1 A_1 1 1 A_2'' (n \rightarrow \pi^\star) 4.71 _ _ false
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1 1 A_1 1 1 E'' (n \rightarrow \pi^\star) 4.75 _ _ false
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1 1 A_1 1 1 A_2' (\pi \rightarrow \pi^\star) 5.71 _ _ false
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1 1 A_1 1 1 A_1' (\pi \rightarrow \pi^\star) 7.18 _ _ false
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1 1 A_1 2 1 E'' (n \rightarrow \pi^\star) 7.78 _ _ false
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1 1 A_1 1 1 E' (\pi \rightarrow \pi^\star) 7.84 _ _ false
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