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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_CONF2_octanol | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -1131.3724784; Eh | |||
 | 14-Mar-2025 | clomazone_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1131.15411029; Eh | |||
 | 14-Mar-2025 | clomazone_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1131.15428398; Eh | |||
 | 14-Mar-2025 | clomazone_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1131.15938326; Eh | |||
 | 14-Mar-2025 | clomazone_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1131.15790203; Eh | |||
 | 14-Mar-2025 | clomazone_CONF27_gas | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1131.14086918; Eh | |||
 | 14-Mar-2025 | clomazone_CONF10_gas | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1131.14177922; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.76318342; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF20_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.76452390; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.77365068; Eh |
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