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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Sep-2022 | picoxystrobin_CONF59_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1350.88623803; Eh | |||
 | 27-Sep-2022 | coumoxystrobin_CONF357_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1459.12480648; Eh | |||
 | 27-Sep-2022 | picoxystrobin_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1350.88333759; Eh | |||
 | 27-Sep-2022 | picoxystrobin_CONF41_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1350.88182534; Eh | |||
 | 27-Sep-2022 | coumoxystrobin_CONF356_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1459.12477922; Eh | |||
 | 27-Sep-2022 | coumoxystrobin_CONF53_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1459.13409858; Eh | |||
 | 27-Sep-2022 | coumoxystrobin_CONF52_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1459.13405133; Eh | |||
 | 27-Sep-2022 | coumoxystrobin_CONF51_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1459.13399394; Eh | |||
 | 27-Sep-2022 | orysastrobin_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1350.75731779; Eh | |||
 | 27-Sep-2022 | orysastrobin_CONF14_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1350.75805301; Eh |
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- 5102 Orca