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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_CONF51_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1390.06229105; Eh | |||
 | 26-Jan-2023 | kasugamycin_CONF58_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1390.06274048; Eh | |||
 | 26-Jan-2023 | oxytetracycline_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1639.53283559; Eh | |||
 | 26-Jan-2023 | oxytetracycline_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1639.53572494; Eh | |||
 | 26-Jan-2023 | oxytetracycline_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1639.53230490; Eh | |||
 | 26-Jan-2023 | oxytetracycline_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1639.53392262; Eh | |||
 | 26-Jan-2023 | mepanipyrim_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -705.59299749; Eh | |||
 | 26-Jan-2023 | streptomycin_CONF350_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2109.94505151; Eh | |||
 | 26-Jan-2023 | streptomycin_CONF263_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2109.94615317; Eh | |||
 | 26-Jan-2023 | streptomycin_CONF424_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2109.94221358; Eh |
Results 11-20 of 155 (Search time: 0.001 seconds).