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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M23 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1148.03481912; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M22 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1148.04064312; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M21 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1146.33656201; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M20 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1146.34296477; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M19 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -1948.57630266; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M25 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -1444.5546296; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M24 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -1444.5533879; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M5 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -1451.77543208; Eh |
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- 48 Chelates
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- 48 Titanium
- 48 Zirconium