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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Sep-2022 | orysastrobin_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1350.75802938; Eh | |||
 | 27-Sep-2022 | coumoxystrobin_CONF339_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1459.12348811; Eh | |||
 | 27-Sep-2022 | coumoxystrobin_CONF343_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1459.12436963; Eh | |||
 | 27-Sep-2022 | picoxystrobin_CONF126_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1350.88205752; Eh | |||
 | 27-Sep-2022 | picoxystrobin_CONF110_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1350.88661788; Eh | |||
 | 27-Sep-2022 | orysastrobin_CONF76_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1350.76268586; Eh | |||
 | 27-Sep-2022 | orysastrobin_CONF75_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1350.76282831; Eh | |||
 | 27-Sep-2022 | coumoxystrobin_CONF485_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1459.13264311; Eh | |||
 | 27-Sep-2022 | coumoxystrobin_CONF475_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1459.13328495; Eh | |||
 | 27-Sep-2022 | orysastrobin_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1350.76085735; Eh |
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- 5102 Orca