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Collection's Items (Sorted by Submit Date in Descending order): 941 to 960 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Propetamphos_CONF121_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51170712; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF122_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51185193; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF123_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51305911; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF125_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51355941; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF126_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51177131; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF127_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51160857; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF13_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51198410; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF132_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51268726; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF133_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51154060; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF134_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51305113; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF135_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51355309; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF136_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51230220; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF137_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51302060; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF14_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51386003; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF141_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51303234; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF15_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51385904; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF151_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51155203; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF153_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51309491; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF158_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51287486; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF16_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51208170; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 941 to 960 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum