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 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 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_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 | |||
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M3 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GEN | -1099.58027493; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M4 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GEN | -1099.57755864; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M5 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GEN | -1451.77543208; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M6 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GEN | -2300.64268757; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M9 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GEN | -2293.68657832; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M10 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GEN | -2293.67764544; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M11 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GEN | -2293.67208695; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M18 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GEN | -1948.58795262; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M19 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GEN | -1948.57630266; Eh |
Results 1-25 of 27 (Search time: 0.002 seconds).
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Subject
- 27 Chelates
- 27 Hafnium
- 27 Radiochemistry
- 27 Radiopharmaceuticals
- 27 Titanium
- 27 Zirconium
Stoichiometry
Program name
- 27 Gaussian
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