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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Sep-2022 | coumoxystrobin_CONF494_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1459.13224510; Eh | |||
 | 27-Sep-2022 | coumoxystrobin_CONF49_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1459.13390384; Eh | |||
 | 27-Sep-2022 | orysastrobin_CONF12_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1350.75694703; Eh | |||
 | 27-Sep-2022 | orysastrobin_CONF10_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1350.75665946; Eh | |||
 | 27-Sep-2022 | coumoxystrobin_CONF453_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1459.13315499; Eh | |||
 | 27-Sep-2022 | orysastrobin_CONF74_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1350.76275146; Eh | |||
 | 27-Sep-2022 | orysastrobin_CONF62_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1350.76237035; Eh | |||
 | 27-Sep-2022 | orysastrobin_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1350.76098446; Eh | |||
 | 27-Sep-2022 | coumoxystrobin_CONF457_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1459.13268959; Eh | |||
 | 27-Sep-2022 | coumoxystrobin_CONF54_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1459.13383378; Eh |
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- 5102 Orca