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Collection's Items (Sorted by Submit Date in Descending order): 1521 to 1540 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Propetamphos_CONF70_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52193384; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF71_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52120964; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF72_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52135167; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF73_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52126450; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF74_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52154346; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF75_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52085098; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF76_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52090813; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF77_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52122942; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF78_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52273607; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF8_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51949639; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF80_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52019527; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF81_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52007484; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF82_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52016414; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF83_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52036914; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF84_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52008807; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF85_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52010310; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF86_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51944188; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF87_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52054870; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF88_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51931632; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF89_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52054652; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1521 to 1540 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum