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Collection's Items (Sorted by Submit Date in Descending order): 1441 to 1460 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Propetamphos_CONF326_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51935135; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF327_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51937133; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF328_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51880980; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF33_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52178489; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF336_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52074953; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF337_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52049990; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF339_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52073283; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF34_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52131070; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF343_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52056370; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF346_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52078426; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF35_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52345211; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF352_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52027315; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF355_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52067355; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF358_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52049364; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF36_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52219409; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF360_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52024423; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF37_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52153931; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF378_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52081686; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF379_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52082554; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF38_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52158113; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1441 to 1460 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum