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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Feb-2023 | ipflufenoquin_CONF60_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.50899789; Eh | |||
 | 24-Feb-2023 | ipflufenoquin_CONF52_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.50833981; Eh | |||
 | 24-Feb-2023 | ipflufenoquin_CONF61_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.50902747; Eh | |||
 | 24-Feb-2023 | ipflufenoquin_CONF59_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.50893208; Eh | |||
 | 24-Feb-2023 | ipflufenoquin_CONF6_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.51132722; Eh | |||
 | 24-Feb-2023 | ipflufenoquin_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.51985301; Eh | |||
 | 24-Feb-2023 | ipflufenoquin_CONF57_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.51684417; Eh | |||
 | 24-Feb-2023 | ipflufenoquin_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.51691691; Eh | |||
 | 24-Feb-2023 | ipflufenoquin_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.51924075; Eh | |||
 | 24-Feb-2023 | ipflufenoquin_CONF49_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1238.49837369; Eh |
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