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Institute of Chemical Research of Catalonia
Browsing by Subject Isopolyoxomolybdates
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Showing results 1 to 20 of 261
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Preview
Issue Date
Title
Author(s)
Program
Calculation type
Method(s)
Basis Set
Energy
Solv.
Vibr.
Orb.
26-Feb-2025
/single_point_recalculations_Eel/T125 H2O
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
26-Feb-2025
/single_point_recalculations_Eel/T125 H3O
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
26-Feb-2025
/single_point_recalculations_Eel/T125 H4O2
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
26-Feb-2025
/single_point_recalculations_Eel/T125 H5O2
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
26-Feb-2025
/single_point_recalculations_Eel/T125 Mo01O04-0H
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
26-Feb-2025
/single_point_recalculations_Eel/T125 Mo01O04-1H
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
26-Feb-2025
/single_point_recalculations_Eel/T125 Mo01O04-2H
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
26-Feb-2025
/single_point_recalculations_Eel/T125 Mo01O06-6H
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
26-Feb-2025
/single_point_recalculations_Eel/T125 Mo01O06-7H
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
26-Feb-2025
/single_point_recalculations_Eel/T125 Mo01O06-8H
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
26-Feb-2025
/single_point_recalculations_Eel/T125 Mo02O07-0H
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
26-Feb-2025
/single_point_recalculations_Eel/T125 Mo02O07-1H
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
26-Feb-2025
/single_point_recalculations_Eel/T125 Mo02O07-2H
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
26-Feb-2025
/single_point_recalculations_Eel/T125 Mo02O10-6H
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
26-Feb-2025
/single_point_recalculations_Eel/T125 Mo02O10-7H
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
26-Feb-2025
/single_point_recalculations_Eel/T125 Mo02O10-8H
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
26-Feb-2025
/single_point_recalculations_Eel/T125 Mo03O10-0H
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
26-Feb-2025
/single_point_recalculations_Eel/T125 Mo03O10-1H
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
26-Feb-2025
/single_point_recalculations_Eel/T125 Mo03O10-2H
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
26-Feb-2025
/single_point_recalculations_Eel/T125 Mo03O14-6H
Susanne Junkers, Laura
ADF; 2019
Single point
PBE
TZP
-
