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Collection's Items (Sorted by Submit Date in Descending order): 981 to 1000 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Propetamphos_CONF19_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51388796; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF194_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51096779; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF195_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51118436; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF196_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51081524; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51247100; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF20_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51143840; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF205_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51148791; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF206_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51134783; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF214_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.50977097; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF227_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51332400; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF23_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51134512; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF232_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51319840; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF237_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51318092; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF24_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51356889; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF241_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51015673; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF242_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.50991743; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF243_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51325013; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF249_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51327564; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF25_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.50959025; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF250_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51229151; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 981 to 1000 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum