mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-12-24 13:23:40 +01:00
Fix aug
This commit is contained in:
parent
a21d98b0ea
commit
b3e470bbd8
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanoacetylene
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CC3,\emph{aug}-cc-pV5Z
|
||||
# method : CC3,aug-cc-pV5Z
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanoacetylene
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CC3,\emph{aug}-cc-pVDZ
|
||||
# method : CC3,aug-cc-pVDZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanoacetylene
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CC3,\emph{aug}-cc-pVQZ
|
||||
# method : CC3,aug-cc-pVQZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanoacetylene
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CC3,\emph{aug}-cc-pVTZ
|
||||
# method : CC3,aug-cc-pVTZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanoacetylene
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CCSDTQ,\emph{aug}-cc-pVDZ
|
||||
# method : CCSDTQ,aug-cc-pVDZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanoacetylene
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CCSDT,\emph{aug}-cc-pVDZ
|
||||
# method : CCSDT,aug-cc-pVDZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanoacetylene
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CCSDT,\emph{aug}-cc-pVTZ
|
||||
# method : CCSDT,aug-cc-pVTZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanoacetylene
|
||||
# Comment :
|
||||
# code :
|
||||
# method : FCI,\emph{aug}-cc-pVDZ
|
||||
# method : FCI,aug-cc-pVDZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanoacetylene
|
||||
# Comment :
|
||||
# code :
|
||||
# method : NEVPT2,\emph{aug}-cc-pVTZ
|
||||
# method : NEVPT2,aug-cc-pVTZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanogen
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CC3,\emph{aug}-cc-pV5Z
|
||||
# method : CC3,aug-cc-pV5Z
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanogen
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CC3,\emph{aug}-cc-pVDZ
|
||||
# method : CC3,aug-cc-pVDZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanogen
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CC3,\emph{aug}-cc-pVQZ
|
||||
# method : CC3,aug-cc-pVQZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanogen
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CC3,\emph{aug}-cc-pVTZ
|
||||
# method : CC3,aug-cc-pVTZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanogen
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CCSDTQ,\emph{aug}-cc-pVDZ
|
||||
# method : CCSDTQ,aug-cc-pVDZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanogen
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CCSDT,\emph{aug}-cc-pVDZ
|
||||
# method : CCSDT,aug-cc-pVDZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanogen
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CCSDT,\emph{aug}-cc-pVTZ
|
||||
# method : CCSDT,aug-cc-pVTZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanogen
|
||||
# Comment :
|
||||
# code :
|
||||
# method : FCI,\emph{aug}-cc-pVDZ
|
||||
# method : FCI,aug-cc-pVDZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanogen
|
||||
# Comment :
|
||||
# code :
|
||||
# method : NEVPT2,\emph{aug}-cc-pVTZ
|
||||
# method : NEVPT2,aug-cc-pVTZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanoacetylene
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CC3,\emph{aug}-cc-pVDZ
|
||||
# method : CC3,aug-cc-pVDZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanoacetylene
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CC3,\emph{aug}-cc-pVTZ
|
||||
# method : CC3,aug-cc-pVQZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanoacetylene
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CC3,\emph{aug}-cc-pVQZ
|
||||
# method : CC3,aug-cc-pVTZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanoacetylene
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CCSDTQ,\emph{aug}-cc-pVDZ
|
||||
# method : CCSDTQ,aug-cc-pVDZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanoacetylene
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CCSDT,\emph{aug}-cc-pVDZ
|
||||
# method : CCSDT,aug-cc-pVDZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanoacetylene
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CCSDT,\emph{aug}-cc-pVTZ
|
||||
# method : CCSDT,aug-cc-pVTZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanoacetylene
|
||||
# Comment :
|
||||
# code :
|
||||
# method : FCI,\emph{aug}-cc-pVDZ
|
||||
# method : FCI,aug-cc-pVDZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanoacetylene
|
||||
# Comment :
|
||||
# code :
|
||||
# method : NEVPT2,\emph{aug}-cc-pVTZ
|
||||
# method : NEVPT2,aug-cc-pVTZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanogen
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CC3,\emph{aug}-cc-pV5Z
|
||||
# method : CC3,aug-cc-pV5Z
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanogen
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CC3,\emph{aug}-cc-pVDZ
|
||||
# method : CC3,aug-cc-pVDZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanogen
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CC3,\emph{aug}-cc-pVQZ
|
||||
# method : CC3,aug-cc-pVQZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanogen
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CC3,\emph{aug}-cc-pVTZ
|
||||
# method : CC3,aug-cc-pVTZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanogen
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CCSDTQ,\emph{aug}-cc-pVDZ
|
||||
# method : CCSDTQ,aug-cc-pVDZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanogen
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CCSDT,\emph{aug}-cc-pVDZ
|
||||
# method : CCSDT,aug-cc-pVDZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanogen
|
||||
# Comment :
|
||||
# code :
|
||||
# method : CCSDT,\emph{aug}-cc-pVTZ
|
||||
# method : CCSDT,aug-cc-pVTZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanogen
|
||||
# Comment :
|
||||
# code :
|
||||
# method : FCI,\emph{aug}-cc-pVDZ
|
||||
# method : FCI,aug-cc-pVDZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
@ -1,7 +1,7 @@
|
||||
# Molecule : Cyanogen
|
||||
# Comment :
|
||||
# code :
|
||||
# method : NEVPT2,\emph{aug}-cc-pVTZ
|
||||
# method : NEVPT2,aug-cc-pVTZ
|
||||
# geom :
|
||||
# DOI :
|
||||
|
Loading…
Reference in New Issue
Block a user