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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Feb-2023 | diclomezine_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1529.19737038; Eh | |||
 | 24-Feb-2023 | diclomezine_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1529.19724119; Eh | |||
 | 24-Feb-2023 | diclomezine_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1529.19289919; Eh | |||
 | 24-Feb-2023 | diclomezine_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1529.17686145; Eh | |||
 | 24-Feb-2023 | cymoxanil_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -717.49525476; Eh | |||
 | 24-Feb-2023 | diclomezine_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1529.17666859; Eh | |||
 | 24-Feb-2023 | cymoxanil_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -717.49571661; Eh | |||
 | 24-Feb-2023 | cymoxanil_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -717.49489411; Eh | |||
 | 24-Feb-2023 | cymoxanil_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -717.49488760; Eh | |||
 | 24-Feb-2023 | flusulfamide_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2528.21762715; Eh |
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- 1904 Single point