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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Feb-2023 | dichlobentiazox_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2474.81112236; Eh | |||
 | 24-Feb-2023 | dichlobentiazox_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2474.81107275; Eh | |||
 | 24-Feb-2023 | dichlobentiazox_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2474.81095227; Eh | |||
 | 24-Feb-2023 | dichlobentiazox_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2474.81093934; Eh | |||
 | 24-Feb-2023 | dichlobentiazox_CONF7_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2474.83537259; Eh | |||
 | 24-Feb-2023 | dichlobentiazox_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2474.83371423; Eh | |||
 | 24-Feb-2023 | dichlobentiazox_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2474.83337021; Eh | |||
 | 24-Feb-2023 | dichlobentiazox_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2474.83330152; Eh | |||
 | 24-Feb-2023 | dichlobentiazox_CONF7_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2474.83523963; Eh | |||
 | 24-Feb-2023 | dichlobentiazox_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2474.83313859; Eh |
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