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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Mar-2025 | cyflufenamid_CONF58_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.65788109; Eh | |||
 | 23-Mar-2025 | cyflufenamid_CONF53_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.65898242; Eh | |||
 | 23-Mar-2025 | cyflufenamid_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.65924381; Eh | |||
 | 23-Mar-2025 | cyflufenamid_CONF59_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.65860955; Eh | |||
 | 23-Mar-2025 | cyflufenamid_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.4; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1531.65909936; Eh | |||
 | 23-Mar-2025 | diclomezine_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1529.19737038; Eh | |||
 | 23-Mar-2025 | diclomezine_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -1529.19295559; Eh | |||
 | 23-Mar-2025 | cymoxanil_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -717.49525476; Eh | |||
 | 23-Mar-2025 | cymoxanil_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -717.49571661; Eh | |||
 | 23-Mar-2025 | cymoxanil_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | DFT | def2-TZVPP; def2/J; cpcm | -717.49489411; Eh |
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