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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2025 | naproanilide_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -939.57784366; Eh | |||
 | 19-Mar-2025 | naproanilide_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -939.57856208; Eh | |||
 | 19-Mar-2025 | naproanilide_CONF60_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -939.57857661; Eh | |||
 | 19-Mar-2025 | naproanilide_CONF61_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -939.57829220; Eh | |||
 | 19-Mar-2025 | naproanilide_CONF62_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -939.57809276; Eh | |||
 | 19-Mar-2025 | naproanilide_CONF39_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -939.57761997; Eh | |||
 | 19-Mar-2025 | naproanilide_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -939.57795755; Eh | |||
 | 19-Mar-2025 | naproanilide_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -939.57829385; Eh | |||
 | 19-Mar-2025 | naproanilide_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -939.57817942; Eh | |||
 | 19-Mar-2025 | oxaziclomefone_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1899.27366401; Eh |
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