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Collection's Items (Sorted by Submit Date in Descending order): 1421 to 1440 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Propetamphos_CONF293_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52239063; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF294_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51973223; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF295_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52233846; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52232918; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF30_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52167311; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF301_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52011110; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF304_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51985189; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF305_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52004685; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF307_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52006115; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF31_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52139473; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF310_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51878725; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF311_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51874266; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF313_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51868887; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF314_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52006280; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF315_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51874138; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF319_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52018009; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF32_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52219192; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF320_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52002975; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF322_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52015417; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF323_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51910609; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1421 to 1440 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum