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Collection's Items (Sorted by Submit Date in Descending order): 1381 to 1400 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Propetamphos_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52063675; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF20_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52039292; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF205_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52047702; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF206_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52136187; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF214_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51932414; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF217_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52100431; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF220_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52050839; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF221_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52089266; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF227_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52251498; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF23_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52041662; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF232_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52219973; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF233_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52071870; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF235_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52066410; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF236_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52061771; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF237_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52231020; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF24_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52241071; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF241_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52089749; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF242_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52088298; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF243_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52281029; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF249_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52212890; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1381 to 1400 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum