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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Sep-2022 | famoxadone_CONF170_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.70688442; Eh | |||
 | 27-Sep-2022 | famoxadone_CONF171_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.68584349; Eh | |||
 | 27-Sep-2022 | famoxadone_CONF171_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.71574069; Eh | |||
 | 27-Sep-2022 | famoxadone_CONF171_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.70710697; Eh | |||
 | 27-Sep-2022 | famoxadone_CONF172_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.68610071; Eh | |||
 | 27-Sep-2022 | famoxadone_CONF172_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.71561865; Eh | |||
 | 27-Sep-2022 | famoxadone_CONF172_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.70677687; Eh | |||
 | 27-Sep-2022 | famoxadone_CONF17_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.68588664; Eh | |||
 | 27-Sep-2022 | famoxadone_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.71489347; Eh | |||
 | 27-Sep-2022 | famoxadone_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.70623067; Eh | |||
 | 27-Sep-2022 | famoxadone_CONF18_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.68629990; Eh | |||
 | 27-Sep-2022 | famoxadone_CONF18_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.71568781; Eh | |||
 | 27-Sep-2022 | famoxadone_CONF18_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.70706898; Eh | |||
 | 27-Sep-2022 | famoxadone_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.68627102; Eh | |||
 | 27-Sep-2022 | famoxadone_CONF19_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.71566168; Eh | |||
 | 27-Sep-2022 | famoxadone_CONF19_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.70701429; Eh | |||
 | 27-Sep-2022 | famoxadone_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.68579313; Eh | |||
 | 27-Sep-2022 | famoxadone_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.71524875; Eh | |||
 | 27-Sep-2022 | famoxadone_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.70665465; Eh | |||
 | 27-Sep-2022 | famoxadone_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1259.68522649; Eh |