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Collection's Items (Sorted by Submit Date in Descending order): 2961 to 2980 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF197_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19557209; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF201_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19544722; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF209_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19555815; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF21_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19590616; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF210_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19679174; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF211_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19574597; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF212_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19672087; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF213_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19567065; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF214_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19573645; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF215_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19678940; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF216_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19589176; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF217_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19593146; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF218_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19571747; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF219_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19614672; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19604528; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF220_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19618455; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF222_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19633983; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF223_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19647473; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF225_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19646818; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF23_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.19619395; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2961 to 2980 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum