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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_TZVP M4 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GEN | -1099.4885138; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M3 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GEN | -1099.3155323; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M5 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GEN | -1451.6139691; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M11 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RPBEPBE | GEN | -2293.5363638; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M12 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | GEN | -1491.32563502; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M10 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | GEN | -2293.56842727; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_TZVP M9 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RPBEPBE | GEN | -2293.57735186; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M12 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1491.42555814; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M13 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1491.41980286; Eh | |||
 | 14-Mar-2024 | /PBEPBE_GD3MBJ_SMDwater_def2_QZVP M11 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -2293.67208695; Eh |
Results 11-20 of 48 (Search time: 0.001 seconds).