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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
/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 M22 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GENECP | -1148.04064312; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M23 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GENECP | -1148.03481912; Eh |
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