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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Mar-2023 | tolylfluanid_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2465.56900383; Eh | |||
 | 6-Mar-2023 | tolylfluanid_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2465.56878804; Eh | |||
 | 6-Mar-2023 | methasulfocarb_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.73892202; Eh | |||
 | 6-Mar-2023 | methasulfocarb_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.73872240; Eh | |||
 | 6-Mar-2023 | methasulfocarb_CONF11_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.73935705; Eh | |||
 | 6-Mar-2023 | methasulfocarb_CONF32_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.73856887; Eh | |||
 | 6-Mar-2023 | dichlofluanid_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2426.24589652; Eh | |||
 | 6-Mar-2023 | dichlofluanid_CONF34_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2426.24707041; Eh | |||
 | 6-Mar-2023 | dichlofluanid_CONF35_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2426.24543135; Eh | |||
 | 6-Mar-2023 | dichlofluanid_CONF38_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2426.24690775; Eh |
Results 1-10 of 273 (Search time: 0.001 seconds).