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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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 | |||
 | 21-Jun-2023 | /Anionic_Model _PW11Fe(H2O)O39_5- | Thompson, Jake | AMS; 2021.103; r96797 | Geometry optimization | PBE | - | -468.665144; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Explicit_Counterions/M=Mn(III_II) K6_SiW11Mn(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -469.700518; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Explicit_Counterions/M=Mn(III_II) K7_ZnW11Mn(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -463.710461; 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_=_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/Anionic_Model/M=_Mn(III_II) ZnW11Mn-II-(H2O)O39_8- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -473.752168; eV |
Results 171-180 of 199 (Search time: 0.002 seconds).