mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-11-05 21:54:01 +01:00
12 lines
704 B
Plaintext
12 lines
704 B
Plaintext
|
# Molecule : Formaldehyde
|
||
|
|
# Comment :
|
||
|
|
# code :
|
||
|
|
# method : TBE
|
||
|
|
# geom :
|
||
|
|
# DOI : 10.1021/acs.jctc.8b00406
|
||
|
|
|
||
|
|
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
|
||
|
|
####################### ####################### ######################################## ############# ####### ################### ##############
|
||
|
|
# Number Spin Symm Number Spin Symm type E_fluo %T1 f is unsafe
|
||
|
|
1 1 A_1 1 1 A'' {\mathrm{V};n \rightarrow \pi^\star} 2.8 87.8 _ false
|