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Collection's Items (Sorted by Submit Date in Descending order): 1401 to 1420 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Propetamphos_CONF25_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51930148; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF250_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52170375; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF251_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52139020; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF252_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52138076; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF253_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52156589; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF254_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52159527; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF255_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52148334; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF256_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52122908; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF257_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52162634; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF259_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52151387; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF26_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52027786; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF266_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51962705; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF267_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51990957; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF269_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51967032; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF278_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52102294; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF28_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52215630; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF280_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52089717; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF281_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52104417; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF29_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52178949; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF290_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52238463; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1401 to 1420 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum