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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_CONF22_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1131.15270830; Eh | |||
 | 14-Mar-2025 | clomazone_CONF32_gas | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1131.14294300; Eh | |||
 | 14-Mar-2025 | clomazone_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1131.14087955; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.76440227; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF24_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.76336575; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.76218410; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.77299142; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF20_octanol | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.77248734; Eh | |||
 | 14-Mar-2025 | bixlozone_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | - | def2-TZVPP | -1590.75195795; Eh | |||
 | 14-Mar-2025 | clomazone_CONF4_water | Pulgar Rubio, Antonio | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -1131.3680246; Eh |
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