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Issue Date
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Method(s)
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Energy
Solv.
Vibr.
Orb.
21-Jun-2023
/Functional_Effect/Explicit_Counterions/M=_Co(III_II) K5_SiW11Co(H2O)O39
Thompson, Jake
AMS; 2021.106; r99350
Geometry optimization
PBE
-
-463.261599; eV
21-Jun-2023
/Functional_Effect/Explicit_Counterions/M_=_Ru(III_II) K5_SiW11Ru(H2O)O39
Thompson, Jake
AMS; 2021.106; r99350
Geometry optimization
PBE
-
-463.137274; eV
21-Jun-2023
/Functional_Effect/Explicit_Counterions/M=Mn(III_II) K5_SiW11Mn(H2O)O39
Thompson, Jake
AMS; 2021.106; r99350
Geometry optimization
PBE
-
-466.241649; 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) 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) SiW11Fe-II-(H2O)O39_6-
Thompson, Jake
AMS; 2021.106; r99350
Geometry optimization
PBE
-
-474.070609; eV
21-Jun-2023
/Functional_Effect/Anionic_Model/M=_Mn(III_II) SiW11Mn-II-(H2O)O39_6-
Thompson, Jake
AMS; 2021.106; r99350
Geometry optimization
PBE
-
-475.530928; eV
21-Jun-2023
/Functional_Effect/Anionic_Model/M_=_Fe(III_II) AsW11Fe-III-(H2O)O39_4-
Thompson, Jake
AMS; 2021.106; r99350
Geometry optimization
PBE
-
-457.837508; eV
21-Jun-2023
/Functional_Effect/Explicit_Counterions/M=_Fe(III_II) K5_SiW11Fe(H2O)O39
Thompson, Jake
AMS; 2021.106; r99350
Geometry optimization
PBE
-
-464.731771; eV
21-Jun-2023
/Functional_Effect/Explicit_Counterions/M=_Fe(III_II) K5_AsW11Fe(H2O)O39
Thompson, Jake
AMS; 2021.106; r99350
Geometry optimization
PBE
-
-456.990956; eV
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Thompson, Jake
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Redox chemistry
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