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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-Jan-2024 | /Ligand_Substituent_Effects_Polyoxometalates/V6_OH V6-OH | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Single point Structure | RB3LYP | DEF2TZVPP | -7637.9143681; Eh | ||||
30-Jan-2024 | /Ligand_Substituent_Effects_Polyoxometalates/V6_Cl V6-Cl | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RB3LYP | DEF2TZVPP | - |
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