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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2025 | bensulide_CONF489_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2439.75690624; Eh | |||
 | 19-Mar-2025 | bensulide_CONF644_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2439.75758640; Eh | |||
 | 19-Mar-2025 | bensulide_CONF415_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2439.75842413; Eh | |||
 | 19-Mar-2025 | bensulide_CONF477_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2439.75754476; Eh | |||
 | 19-Mar-2025 | bensulide_CONF66_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2439.75535753; Eh | |||
 | 19-Mar-2025 | bensulide_CONF67_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2439.75564311; Eh | |||
 | 19-Mar-2025 | bensulide_CONF414_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2439.75732854; Eh | |||
 | 19-Mar-2025 | bensulide_CONF68_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2439.75540630; Eh | |||
 | 19-Mar-2025 | bensulide_CONF550_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2439.75624802; Eh | |||
 | 19-Mar-2025 | etobenzanid_CONF33_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1819.67867013; Eh |
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