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Collection's Items (Sorted by Submit Date in Descending order): 2881 to 2900 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF436_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17584993; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF437_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17547641; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF438_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17559031; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF440_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17560034; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF441_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17566882; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF447_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17624482; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF448_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17829581; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF450_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17623007; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF451_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17597067; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF49_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17415123; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF52_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17680929; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF53_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17720548; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF54_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17690705; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF55_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17701477; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF57_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17688233; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF58_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17688036; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF59_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17682191; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF68_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17679885; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF69_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17676510; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF70_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.17675508; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2881 to 2900 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum