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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
/PBEPBE_GD3MBJ_SMDwater_def2_TZVP M5 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RHF; RPBEPBE | GEN | -1451.6139691; Eh | |||
/PBEPBE_GD3MBJ_SMDwater_def2_QZVP M5 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | RPBEPBE | GEN | -1451.77543208; Eh |
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