mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-08-26 06:01:49 +02:00
Fix missing QUEST#3 DOI
This commit is contained in:
parent
3571ce4fad
commit
070e9a7a7d
@ -1,9 +1,9 @@
|
|||||||
# Molecule : Cyclopropenone
|
# Molecule : Cyclopropenone
|
||||||
# Comment :
|
# Comment :
|
||||||
# code :
|
# code : CFOUR
|
||||||
# method : CC3,aug-cc-pVDZ
|
# method : CC3,aug-cc-pVDZ
|
||||||
# geom :
|
# geom : CC3,aug-cc-pVTZ
|
||||||
# DOI :
|
# DOI : 10.1021/acs.jctc.9b01216
|
||||||
|
|
||||||
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
|
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
|
||||||
####################### ####################### ######################################## ############# ####### ################### ##############
|
####################### ####################### ######################################## ############# ####### ################### ##############
|
||||||
|
@ -1,9 +1,9 @@
|
|||||||
# Molecule : Cyclopropenone
|
# Molecule : Cyclopropenone
|
||||||
# Comment :
|
# Comment :
|
||||||
# code :
|
# code : CFOUR
|
||||||
# method : CCSDT,aug-cc-pVDZ
|
# method : CCSDT,aug-cc-pVDZ
|
||||||
# geom :
|
# geom : CC3,aug-cc-pVTZ
|
||||||
# DOI :
|
# DOI : 10.1021/acs.jctc.9b01216
|
||||||
|
|
||||||
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
|
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
|
||||||
####################### ####################### ######################################## ############# ####### ################### ##############
|
####################### ####################### ######################################## ############# ####### ################### ##############
|
||||||
|
@ -1,9 +1,9 @@
|
|||||||
# Molecule : Cyclopropenone
|
# Molecule : Cyclopropenone
|
||||||
# Comment :
|
# Comment :
|
||||||
# code :
|
# code : CFOUR
|
||||||
# method : CCSDT,aug-cc-pVTZ
|
# method : CCSDT,aug-cc-pVDZ
|
||||||
# geom :
|
# geom : CC3,aug-cc-pVTZ
|
||||||
# DOI :
|
# DOI : 10.1021/acs.jctc.9b01216
|
||||||
|
|
||||||
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
|
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
|
||||||
####################### ####################### ######################################## ############# ####### ################### ##############
|
####################### ####################### ######################################## ############# ####### ################### ##############
|
||||||
|
Loading…
Reference in New Issue
Block a user