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Collection's Items (Sorted by Submit Date in Descending order): 1461 to 1480 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Propetamphos_CONF380_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52083119; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF381_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52086684; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF382_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52086612; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF388_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52020371; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF39_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52354107; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF4_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52230480; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF40_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52343541; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF405_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51974993; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF41_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52350114; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF411_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51986499; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF413_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52000339; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF414_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51972887; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF418_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51974744; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF42_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52341733; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF424_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52019743; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF45_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52338154; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF451_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52001596; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF454_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51954106; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF468_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51839336; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF470_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51902190; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1461 to 1480 of 14192
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Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum