Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M1 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RHF; RPBEPBE | GEN | -1444.5065045; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M2 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RHF; RPBEPBE | GEN | -1444.5307359; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M3 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RHF; RPBEPBE | GEN | -1099.3155323; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M4 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RHF; RPBEPBE | GEN | -1099.4885138; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M5 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RHF; RPBEPBE | GEN | -1451.6139691; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M6 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GEN | -2300.50126179; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M7 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RHF; RPBEPBE | GENECP GEN | -1498.2794375; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M8 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GEN | -1499.99123310; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M9 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GEN | -2293.57735186; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M10 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GEN | -2293.56842727; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M11 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RHF; RPBEPBE | GEN | -2293.5363638; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M12 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GEN | -1491.32563502; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M13 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GEN | -1491.32005065; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M14 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RHF; RPBEPBE | GENECP GEN | -1491.3064571; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M15 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RHF; RPBEPBE | GENECP GEN | -1493.0208662; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M16 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RHF; RPBEPBE | GENECP GEN | -1492.9893135; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M17 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RHF; RPBEPBE | GENECP GEN | -1493.0227482; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M18 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RHF; RPBEPBE | GEN | -1948.4987251; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M19 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RHF; RPBEPBE | GEN | -1948.4886481; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M20 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RHF; RPBEPBE | GENECP GEN | -1146.2682235; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M21 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RHF; RPBEPBE | GENECP GEN | -1146.2620486; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M22 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RHF; RPBEPBE | GENECP GEN | -1147.9701741; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M23 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RHF; RPBEPBE | GENECP GEN | -1147.9645167; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M1 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GEN | -1444.65288902; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M2 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GEN | -1444.62456112; Eh |
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Subject
- 48 Chelates
- 48 Hafnium
- 48 Radiochemistry
- 48 Radiopharmaceuticals
- 48 Titanium
- 48 Zirconium
Basis
- 27 GEN
- 12 GENECP
- 9 GENECP GEN
Stoichiometry
Program name
- 48 Gaussian
Calculation type