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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Oct-2022 | methabenzthiazuron_CONF1_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1025.47196317; Eh | |||
 | 10-Oct-2022 | methabenzthiazuron_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1025.47245575; Eh | |||
 | 10-Oct-2022 | lenacil_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -766.33391434; Eh | |||
 | 10-Oct-2022 | lenacil_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -766.34198334; Eh | |||
 | 10-Oct-2022 | lenacil_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -766.34137308; Eh | |||
 | 10-Oct-2022 | desmedipham_CONF15_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1029.88999852; Eh | |||
 | 10-Oct-2022 | bromacil_CONF12_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3185.07912899; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.84870610; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF9_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.82201304; Eh | |||
 | 10-Oct-2022 | propanil_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1398.85939161; Eh |
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