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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2023 | kasugamycin_CONF432_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1390.01219540; Eh | |||
 | 26-Jan-2023 | kasugamycin_CONF58_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1390.01466726; Eh | |||
 | 26-Jan-2023 | kasugamycin_CONF462_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1390.01225188; Eh | |||
 | 26-Jan-2023 | kasugamycin_CONF51_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1390.01464377; Eh | |||
 | 26-Jan-2023 | kasugamycin_CONF50_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1390.01361369; Eh | |||
 | 26-Jan-2023 | kasugamycin_CONF82_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1390.01470356; Eh | |||
 | 26-Jan-2023 | kasugamycin_CONF82_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1390.06982497; Eh | |||
 | 26-Jan-2023 | mepanipyrim_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -705.57977326; Eh | |||
 | 26-Jan-2023 | mepanipyrim_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -705.58036954; Eh | |||
 | 26-Jan-2023 | oxytetracycline_CONF32_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1639.56587354; Eh |
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