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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2023 | pyrimethanil_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -629.44283785; Eh | |||
 | 26-Jan-2023 | pyrimethanil_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -629.44385837; Eh | |||
 | 26-Jan-2023 | pyrimethanil_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -629.44343870; Eh | |||
 | 26-Jan-2023 | blasticidin-S_CONF81_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1477.90103265; Eh | |||
 | 26-Jan-2023 | blasticidin-S_CONF35_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1477.91007291; Eh | |||
 | 26-Jan-2023 | blasticidin-S_CONF56_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1477.90683567; Eh | |||
 | 26-Jan-2023 | blasticidin-S_CONF43_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1477.90965898; Eh | |||
 | 26-Jan-2023 | blasticidin-S_CONF55_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1477.90672999; Eh | |||
 | 26-Jan-2023 | blasticidin-S_CONF46_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1477.90962987; Eh | |||
 | 26-Jan-2023 | kasugamycin_CONF256_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1390.06276882; Eh |
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