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Collection's Items (Sorted by Submit Date in Descending order): 1021 to 1040 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Propetamphos_CONF307_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51098084; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF31_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51244277; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF314_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51136089; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF319_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51131936; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF32_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51279642; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF320_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51145765; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF322_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51046106; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF328_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.50892617; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF33_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51300167; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF337_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51134407; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF34_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51247396; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF345_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51004999; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF347_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51052815; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF35_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51380932; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF36_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51288234; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF37_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51182742; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF378_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51036397; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF379_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51038879; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF38_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51180913; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF380_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51040483; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1021 to 1040 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum