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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Oct-2022 | quinmerac_CONF1_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1089.47282076; Eh | |||
 | 8-Oct-2022 | mecoprop_CONF9_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1073.66179445; Eh | |||
 | 8-Oct-2022 | mecoprop_CONF4_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1073.65910357; Eh | |||
 | 8-Oct-2022 | mecoprop_CONF3_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1073.66172121; Eh | |||
 | 8-Oct-2022 | mecoprop_CONF16_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1073.66037786; Eh | |||
 | 8-Oct-2022 | mecoprop_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1073.66638857; Eh | |||
 | 8-Oct-2022 | mecoprop_CONF7_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1073.64858097; Eh | |||
 | 8-Oct-2022 | mecoprop_CONF3_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1073.65189025; Eh | |||
 | 8-Oct-2022 | mecoprop_CONF11_gas | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1073.64711156; Eh | |||
 | 8-Oct-2022 | mcpb_CONF7_water | Pulgar Rubio, Antonio | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1112.98504497; Eh |
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