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Collection's Items (Sorted by Submit Date in Descending order): 3121 to 3140 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Tebupirimfos_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18532345; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF158_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18559835; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF159_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18585961; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18504297; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF160_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18587616; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF161_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18586007; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF162_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18585568; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF165_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18465486; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF167_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18549928; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF168_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18591867; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18512614; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF172_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18551496; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF180_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18648545; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF182_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18649224; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF183_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18633772; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF187_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18633780; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF192_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18626968; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF196_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18648712; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF197_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18570318; Eh | |||
 | 20-Mar-2025 | Tebupirimfos_CONF201_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1584.18565233; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 3121 to 3140 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum