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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Feb-2023 | zoxamide_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2129.08795830; Eh | |||
 | 9-Feb-2023 | zoxamide_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2129.08809020; Eh | |||
 | 25-Apr-2023 | butafenacil_CONF382_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81621314; Eh | |||
 | 15-Dec-2022 | spiroxamine_CONF213_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -912.29638659; Eh | |||
 | 17-Jan-2023 | prosulfocarb_CONF39_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1074.40991818; Eh | |||
 | 25-Apr-2023 | butafenacil_CONF370_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81643780; Eh | |||
 | 25-Apr-2023 | butafenacil_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2093.81568104; Eh | |||
 | 15-Dec-2022 | spiroxamine_CONF200_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -912.29444212; Eh | |||
 | 17-Jan-2023 | prosulfocarb_CONF311_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1074.41186265; Eh | |||
 | 25-May-2023 | isoxaben_CONF105_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1110.83212905; Eh |
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