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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_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2465.56868768; 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 | tolylfluanid_CONF71_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2465.56687299; Eh | |||
 | 6-Mar-2023 | tolylfluanid_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2465.56984670; 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_CONF20_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.74110428; Eh | |||
 | 6-Mar-2023 | methasulfocarb_CONF27_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.73958908; Eh | |||
 | 6-Mar-2023 | methasulfocarb_CONF37_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.74072065; Eh | |||
 | 6-Mar-2023 | methasulfocarb_CONF26_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.73959110; Eh | |||
 | 6-Mar-2023 | methasulfocarb_CONF29_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.73907569; Eh |
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