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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Mar-2025 | oxytetracycline_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1639.56773593; Eh | |||
 | 21-Mar-2025 | oxytetracycline_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1639.53572494; Eh | |||
 | 21-Mar-2025 | mepanipyrim_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -705.60133508; Eh | |||
 | 21-Mar-2025 | kasugamycin_CONF596_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1390.06819372; Eh | |||
 | 21-Mar-2025 | kasugamycin_CONF256_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1390.06895130; Eh | |||
 | 21-Mar-2025 | kasugamycin_CONF413_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1390.06174105; Eh | |||
 | 21-Mar-2025 | kasugamycin_CONF82_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1390.01470356; Eh | |||
 | 21-Mar-2025 | kasugamycin_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1390.01696709; Eh | |||
 | 21-Mar-2025 | cyprodinil_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -706.82859357; Eh | |||
 | 21-Mar-2025 | blasticidin-S_CONF64_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1477.90761051; Eh |
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