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Collection's Items (Sorted by Submit Date in Descending order): 2981 to 3000 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF231_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19651325; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19602168; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF27_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19252796; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF271_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19478806; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF289_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19498712; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF29_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19249507; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF290_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19540770; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF298_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19516977; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF299_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19544868; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF30_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19252096; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF301_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19446203; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF302_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19590641; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF303_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19595928; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF304_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19607771; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF306_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19591944; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF308_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19604516; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF309_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19456038; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF310_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19586346; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF311_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19477235; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF312_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19459642; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2981 to 3000 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum