mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-08-27 22:51:57 +02:00
17 lines
1.4 KiB
Plaintext
17 lines
1.4 KiB
Plaintext
# Molecule : Acrolein
|
|
# Comment :
|
|
# code :
|
|
# method : Th.$^a$,Litt.
|
|
# geom :
|
|
# DOI :
|
|
|
|
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
|
|
####################### ####################### ######################################## ############# ####### ################### ##############
|
|
# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
|
|
1 1 A_1 1 1 A'' (n \rightarrow \pi^\star) 3.63 _ _ false
|
|
1 1 A_1 1 1 A' (\pi \rightarrow \pi^\star) 6.10 _ _ false
|
|
1 1 A_1 2 1 A'' (n \rightarrow \pi^\star) 6.26 _ _ false
|
|
1 1 A_1 1 1 A' (n \rightarrow 3s) 6.97 _ _ false
|
|
1 1 A_1 1 3 A'' (n \rightarrow \pi^\star) 3.39 _ _ false
|
|
1 1 A_1 1 3 A' (\pi \rightarrow \pi^\star) 3.81 _ _ false
|