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Collection's Items (Sorted by Submit Date in Descending order): 3141 to 3160 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF209_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18547023; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF21_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18550767; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF210_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18617993; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF211_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18560472; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF212_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18612431; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF213_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18555547; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF214_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18559611; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF215_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18621993; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF216_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18565727; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF217_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18573177; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF218_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18558097; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF219_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18596567; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF22_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18518364; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF220_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18592058; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF222_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18603107; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF223_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18602946; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF225_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18598594; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18569339; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF231_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18594551; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF24_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18549619; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3141 to 3160 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum