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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-Mar-2025 | clomazone_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1131.15773257; Eh | |||
 | 14-Mar-2025 | clomazone_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1131.14057701; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF43_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.76538142; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF22_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.76563781; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF36_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.77127148; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF31_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.77108280; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF32_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.77076611; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.77306466; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.77311439; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.77307809; Eh |
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