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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Mar-2025 | carfentrazone-ethyl_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11757231; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF243_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11704943; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF242_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11916594; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF198_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11958789; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF206_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11654662; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF215_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11710279; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF216_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11531192; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF203_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.11707906; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF198_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09332446; Eh | |||
 | 13-Mar-2025 | carfentrazone-ethyl_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2190.09195107; Eh |
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