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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2023 | blasticidin-S_CONF80_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1477.81689100; Eh | |||
 | 26-Jan-2023 | blasticidin-S_CONF81_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1477.81692014; Eh | |||
 | 26-Jan-2023 | blasticidin-S_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1477.81913217; Eh | |||
 | 26-Jan-2023 | blasticidin-S_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1477.81758834; Eh | |||
 | 26-Jan-2023 | blasticidin-S_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1477.81756374; Eh | |||
 | 26-Jan-2023 | streptomycin_CONF263_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2110.01262532; Eh | |||
 | 26-Jan-2023 | streptomycin_CONF272_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2110.01258523; Eh | |||
 | 26-Jan-2023 | streptomycin_CONF469_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2109.94760485; Eh | |||
 | 26-Jan-2023 | kasugamycin_CONF256_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1390.01120217; Eh | |||
 | 26-Jan-2023 | kasugamycin_CONF253_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1390.01221124; Eh |
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