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Title
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Method(s)
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Energy
Solv.
Vibr.
Orb.
21-Jun-2023
/Functional_Effect/Anionic_Model/M_=_Ru(III_II) GeW11Ru-II-(H2O)O39_6-
Thompson, Jake
AMS; 2021.106; r99350
Geometry optimization
PBE
-
-466.141229; eV
21-Jun-2023
/Functional_Effect/Explicit_Counterions/M=Mn(III_II) K5_GeW11Mn(H2O)O39
Thompson, Jake
AMS; 2021.106; r99350
Geometry optimization
PBE
-
-459.751304; eV
21-Jun-2023
/Functional_Effect/Anionic_Model/M=_Co(III_II) SiW11Co-III-(H2O)O39_5-
Thompson, Jake
AMS; 2021.106; r99350
Geometry optimization
PBE
-
-468.541372; eV
21-Jun-2023
/Functional_Effect/Anionic_Model/M=_Co(III_II) SiW11Co-II-(H2O)O39_6-
Thompson, Jake
AMS; 2021.106; r99350
Geometry optimization
PBE
-
-472.775346; eV
21-Jun-2023
/Functional_Effect/Anionic_Model/M=_Mn(III_II) GeW11Mn-III-(H2O)O39_5-
Thompson, Jake
AMS; 2021.106; r99350
Geometry optimization
PBE
-
-465.106470; eV
21-Jun-2023
/Functional_Effect/Anionic_Model/M_=_Fe(III_II) GeW11Fe-II-(H2O)O39_6-
Thompson, Jake
AMS; 2021.106; r99350
Geometry optimization
PBE
-
-467.765863; eV
21-Jun-2023
/Functional_Effect/Anionic_Model/M=_Mn(III_II) BW11Mn-III-(H2O)O39_6-
Thompson, Jake
AMS; 2021.106; r99350
Geometry optimization
PBE
-
-475.024176; eV
21-Jun-2023
/Functional_Effect/Anionic_Model/M=_Mn(III_II) BW11Mn-II-(H2O)O39_7-
Thompson, Jake
AMS; 2021.106; r99350
Geometry optimization
PBE
-
-478.670975; eV
21-Jun-2023
/Functional_Effect/Anionic_Model/M=_Mn(III_II) ZnW11Mn-III-(H2O)O39_7-
Thompson, Jake
AMS; 2021.106; r99350
Geometry optimization
PBE
-
-470.037549; eV
21-Jun-2023
/Functional_Effect/Anionic_Model/M=_Mn(III_II) SiW11Mn-III-(H2O)O39_5-
Thompson, Jake
AMS; 2021.106; r99350
Geometry optimization
PBE
-
-471.599188; eV
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Thompson, Jake
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Polyoxometalates
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Redox Potential
