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Collection's Items (Sorted by Submit Date in Descending order): 1341 to 1360 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Propetamphos_CONF134_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52190429; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF135_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52289011; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF136_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52159068; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF137_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52183655; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF138_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51891438; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF139_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51890679; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF14_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52327923; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF140_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51889695; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF141_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52142720; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF145_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51897299; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF15_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52327436; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF151_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52139581; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF153_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52365433; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF158_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52349473; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF16_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52130166; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF163_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52013774; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF164_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52211682; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF165_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52209488; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF167_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52214624; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF17_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52329883; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1341 to 1360 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum