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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Jan-2023 | tolprocarb_CONF91_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1257.31093300; Eh | |||
 | 19-Jan-2023 | tolprocarb_CONF92_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1257.31186659; Eh | |||
 | 19-Jan-2023 | tolprocarb_CONF90_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1257.31196484; Eh | |||
 | 19-Jan-2023 | tricyclazole_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -909.66476951; Eh | |||
 | 19-Jan-2023 | tricyclazole_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -909.64333498; Eh | |||
 | 19-Jan-2023 | tricyclazole_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -909.66150411; Eh | |||
 | 19-Jan-2023 | tolprocarb_CONF295_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1257.31823566; Eh | |||
 | 19-Jan-2023 | tolprocarb_CONF293_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1257.31817561; Eh | |||
 | 19-Jan-2023 | tolprocarb_CONF294_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1257.31808604; Eh |
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- 1179 Orca