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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Jan-2023 | pethoxamid_CONF405_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42372085; Eh | |||
 | 17-Jan-2023 | eptc_CONF51_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67414203; Eh | |||
 | 17-Jan-2023 | eptc_CONF5_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67742575; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF39_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42405445; Eh | |||
 | 17-Jan-2023 | eptc_CONF8_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67594466; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF411_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42371278; Eh | |||
 | 18-Jan-2023 | cafenstrole_CONF78_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94281993; Eh | |||
 | 17-Jan-2023 | eptc_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67355659; Eh | |||
 | 17-Jan-2023 | eptc_CONF73_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67309633; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF41_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42275473; Eh |
Results 11-20 of 8999 (Search time: 0.003 seconds).