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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Mar-2023 | methasulfocarb_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.73857188; Eh | |||
 | 6-Mar-2023 | methasulfocarb_CONF12_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.71434724; Eh | |||
 | 6-Mar-2023 | methasulfocarb_CONF25_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.71358633; Eh | |||
 | 6-Mar-2023 | methasulfocarb_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.71416106; Eh | |||
 | 6-Mar-2023 | methasulfocarb_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.71324199; Eh | |||
 | 6-Mar-2023 | methasulfocarb_CONF22_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.71344758; Eh | |||
 | 6-Mar-2023 | methasulfocarb_CONF26_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1501.71346881; Eh | |||
 | 6-Mar-2023 | dichlofluanid_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2426.24859122; Eh | |||
 | 6-Mar-2023 | captan_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2331.86333177; Eh | |||
 | 6-Mar-2023 | dichlofluanid_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2426.22889529; Eh |
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- 273 Single point