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11 lines
384 B
Plaintext
11 lines
384 B
Plaintext
# Molecule : Formaldehyde
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# Comment : Fluores cence energies of the formaldehyde molecule
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# code : MRCC
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# method : Th.$^c$,Litt.
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# geom :
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# DOI : 10.1021/acs.jctc.8b00406
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# Initial state Final state Energies (eV)
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####################### ####################### ###############
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# Spin Number Symm Spin Number Symm E_fluo
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