mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-12-27 06:43:47 +01:00
12 lines
412 B
Plaintext
12 lines
412 B
Plaintext
|
# Molecule : Nitrosomethane
|
||
|
|
# Comment :
|
||
|
|
# code : experimental
|
||
|
|
# method : experimental
|
||
|
|
# geom : experimental
|
||
|
|
# DOI : 10.1021/acs.jctc.8b00406
|
||
|
|
|
||
|
|
# Initial state Final state Energies (eV)
|
||
|
|
####################### ####################### ###############
|
||
|
|
# Number Spin Symm Number Spin Symm E_abs
|
||
|
|
1 1 A_1 1 1 A'' 1.83
|