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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Oct-2022 | amicarbazone_CONF3_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.82600937; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF4_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.82604057; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF6_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.84239987; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF7_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.84386351; Eh | |||
 | 10-Oct-2022 | bromacil_CONF2_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3185.06726961; Eh | |||
 | 10-Oct-2022 | bromacil_CONF3_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3185.06698655; Eh | |||
 | 10-Oct-2022 | bromacil_CONF9_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3185.06607049; Eh | |||
 | 10-Oct-2022 | bromacil_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3185.08789341; Eh | |||
 | 10-Oct-2022 | bromacil_CONF6_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3185.08172275; Eh | |||
 | 10-Oct-2022 | chloranocryl_CONF8_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1436.92307713; Eh |
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