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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 M7 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RHF; RPBEPBE | GENECP GEN | -1498.2794375; 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 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 |
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Results 1-17 of 17 (Search time: 0.002 seconds).
Discover
Subject
- 17 Chelates
- 17 Hafnium
- 17 Radiochemistry
- 17 Radiopharmaceuticals
- 17 Titanium
- 17 Zirconium
Method
- 17 RPBEPBE
Basis
- 9 GENECP GEN
- 8 GEN
Stoichiometry
Program name
- 17 Gaussian
Calculation type
Institution