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Collection's Items (Sorted by Submit Date in Descending order): 81 to 100 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Phosphamidon_Z_CONF17_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17867823; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF170_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17904013; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF172_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17769448; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF175_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17777142; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF177_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17901165; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF178_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17953754; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF179_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17944522; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF180_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17956974; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF183_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17937015; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF184_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17927161; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF186_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17868423; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF187_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17891601; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF188_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17855494; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF22_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.18002146; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF24_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17860710; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF25_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17828497; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF3_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17995101; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF30_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17908212; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF4_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17982531; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF55_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17978354; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 81 to 100 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum