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Collection's Items (Sorted by Submit Date in Descending order): 1481 to 1500 of 14192
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Mar-2025 | Propetamphos_CONF471_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52084412; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF472_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51899889; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF474_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51892908; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF475_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51749943; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF478_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51883483; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF479_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52065452; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF48_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52117232; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF5_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52233529; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF50_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52197879; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF508_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51930390; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF51_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52086531; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF511_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51876769; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF52_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52084797; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF53_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52403004; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF532_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51970386; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF533_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51978661; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF54_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52398349; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF542_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51947299; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF545_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.51969222; Eh | |||
 | 20-Mar-2025 | Propetamphos_CONF55_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1488.52409230; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 1481 to 1500 of 14192
Discover
Calculation type
- 12998 Single point
- 1194 Geometry optimization Minimum