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Collection's Items (Sorted by Submit Date in Descending order): 1081 to 1100 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Propetamphos_CONF73_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51246302; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF74_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51232030; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF75_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51208984; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF76_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51230908; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF77_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51248362; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF78_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51138388; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF8_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51124841; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF80_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51112766; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF81_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51111152; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF82_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51111312; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF83_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51109900; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF84_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51108007; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF85_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51108643; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF86_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51117306; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF87_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51169623; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF88_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51094857; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF89_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51159859; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF9_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51354746; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF90_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51108070; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF91_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51158639; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1081 to 1100 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum