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17 lines
1.4 KiB
Plaintext
17 lines
1.4 KiB
Plaintext
# Molecule : Acrolein
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# Comment :
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# code :
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# method : Th.$^a$,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'' (n \rightarrow \pi^\star) 3.63 _ _ false
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1 1 A_1 1 1 A' (\pi \rightarrow \pi^\star) 6.10 _ _ false
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1 1 A_1 2 1 A'' (n \rightarrow \pi^\star) 6.26 _ _ false
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1 1 A_1 1 1 A' (n \rightarrow 3s) 6.97 _ _ false
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1 1 A_1 1 3 A'' (n \rightarrow \pi^\star) 3.39 _ _ false
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1 1 A_1 1 3 A' (\pi \rightarrow \pi^\star) 3.81 _ _ false
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