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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Jan-2023 | cafenstrole_CONF78_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94281993; Eh | |||
 | 18-Jan-2023 | cafenstrole_CONF77_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94287946; Eh | |||
 | 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_CONF6_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67472575; 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_CONF46_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67355659; Eh | |||
 | 18-Jan-2023 | cafenstrole_CONF74_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94265134; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF386_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42385959; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF40_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42446673; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42772997; Eh |
Results 11-20 of 8999 (Search time: 0.004 seconds).