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Collection's Items (Sorted by Submit Date in Descending order): 61 to 80 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Phosphamidon_Z_CONF143_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17963083; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF145_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17779888; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF146_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17908624; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF147_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17891566; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF148_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17953892; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF149_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17817506; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF15_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17930175; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF150_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17920457; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF151_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17933837; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF152_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17911245; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF153_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17958288; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF16_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17960765; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF160_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17837470; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF161_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17908253; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF162_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17943294; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF163_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17937257; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF164_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17798859; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF165_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17691813; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF168_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17998953; Eh | |||
 | 20-Mar-2025 | Phosphamidon_Z_CONF169_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1625.17971109; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 61 to 80 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum