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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 M10 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -2293.67764544; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M9 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -2293.68657832; 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 M14 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1491.41614244; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M15 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1493.12797907; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M17 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1493.11826320; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M16 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1493.12077354; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M8 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1500.11839356; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M4 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -1099.57755864; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M7 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1498.43183340; Eh |
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- 25 Hafnium
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- 25 Titanium
- 25 Zirconium