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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Oct-2022 | mcpb_CONF20_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1112.98374027; Eh | |||
 | 8-Oct-2022 | mcpb_CONF17_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1112.98649907; Eh | |||
 | 8-Oct-2022 | mcpb_CONF15_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1112.98161407; Eh | |||
 | 8-Oct-2022 | mecoprop_CONF2_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1073.67045051; Eh | |||
 | 8-Oct-2022 | mcpb_CONF36_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1112.98664707; Eh | |||
 | 8-Oct-2022 | mcpb_CONF35_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1112.98520823; Eh | |||
 | 8-Oct-2022 | mcpb_CONF30_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1112.98271464; Eh | |||
 | 8-Oct-2022 | mcpb_CONF2_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1112.98361430; Eh | |||
 | 8-Oct-2022 | mecoprop_CONF9_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1073.66726584; Eh | |||
 | 8-Oct-2022 | mecoprop_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1073.66984390; Eh |
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