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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_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.82479619; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF7_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.82206811; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.84881225; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.84893698; 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_CONF8_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.84373983; Eh | |||
 | 10-Oct-2022 | amicarbazone_CONF9_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -816.84379075; Eh | |||
 | 10-Oct-2022 | bromacil_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3185.06732762; 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_CONF6_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3185.06642835; Eh |
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