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Collection's Items (Sorted by Submit Date in Descending order): 1061 to 1080 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Propetamphos_CONF53_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51370360; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF54_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51374078; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF545_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51283366; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF55_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51364744; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF56_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51229500; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF567_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51356398; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF57_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51230113; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF58_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51215654; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF59_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51362794; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF6_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51138812; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF60_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51251769; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF61_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51239862; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF62_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51249189; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF63_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51234206; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF68_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51238857; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF69_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51245485; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF7_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51162905; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF70_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51241913; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF71_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51222292; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF72_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51219381; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1061 to 1080 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum