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Collection's Items (Sorted by Submit Date in Descending order): 881 to 900 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Profenofos_CONF795_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05519374; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF796_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05520902; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF797_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05403978; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF800_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05416526; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF801_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05524022; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF802_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05404584; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF808_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05463163; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF81_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05576933; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF812_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05505456; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF814_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05518129; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF817_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05424108; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF820_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05433519; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF823_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05512684; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF824_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05409989; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF825_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05491922; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF832_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05529976; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF837_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05365420; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF839_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05354020; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF840_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05602381; Eh | |||
 | 20-Mar-2025 | Profenofos_CONF842_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -4428.05575456; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 881 to 900 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum