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Collection's Items (Sorted by Submit Date in Descending order): 3221 to 3240 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF439_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18627504; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF440_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18513587; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF441_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18562362; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF442_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18573366; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF444_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18624056; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF446_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18516060; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF447_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18501154; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF448_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18481604; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF450_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18643480; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF451_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18629858; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF452_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18453724; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF453_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18445563; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF455_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18562135; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF456_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18573214; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF457_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18539264; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF458_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18674294; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF459_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18683645; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF465_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18503961; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF468_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18729833; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF469_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18738812; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3221 to 3240 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum