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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Feb-2023 | fluopicolide_CONF45_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2403.36183660; Eh | |||
 | 9-Feb-2023 | fluopicolide_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2403.36207182; Eh | |||
 | 9-Feb-2023 | fluopicolide_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2403.35803789; Eh | |||
 | 9-Feb-2023 | fluopicolide_CONF40_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2403.36316316; Eh | |||
 | 9-Feb-2023 | fluopicolide_CONF41_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2403.36289956; Eh | |||
 | 9-Feb-2023 | fluopicolide_CONF37_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2403.36264990; Eh | |||
 | 9-Feb-2023 | fluopicolide_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2403.36269782; Eh | |||
 | 9-Feb-2023 | fluopicolide_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2403.36685193; Eh | |||
 | 9-Feb-2023 | fluopicolide_CONF33_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2403.36252679; Eh | |||
 | 9-Feb-2023 | fluopicolide_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2403.36249986; Eh |
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