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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Jun-2023 | /Anionic_Model _PW11Mn(H2O)O39_4- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -465.959616; eV | |||
 | 21-Jun-2023 | /Explicit_Counterions Hole-A,D-K4_PW11Ru(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -458.126029; eV | |||
 | 21-Jun-2023 | /Explicit_Counterions Hole-A,D-K4_PW11Fe(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -459.773889; eV | |||
 | 21-Jun-2023 | /Explicit_Counterions Hole-A-K5_PW11Ru(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -461.783577; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Explicit_Counterions/M=_Fe(III_II) K5_GeW11Fe(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -458.336676; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Explicit_Counterions/M_=_Ru(III_II) K6_GeW11Ru(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -460.336497; 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) K6_GeW11Fe(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -461.967496; eV | |||
 | 21-Jun-2023 | /Functional_Effect/Explicit_Counterions/M=_Fe(III_II) K4_AsW11Fe(H2O)O39 | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -453.239402; 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 |
Results 51-60 of 71 (Search time: 0.001 seconds).