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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_CONF565_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42625517; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF550_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42352729; Eh | |||
 | 18-Jan-2023 | fenoxasulfone_CONF31_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -2218.01499245; Eh | |||
 | 17-Jan-2023 | esprocarb_CONF109_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1113.71768912; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF360_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42430363; Eh | |||
 | 17-Jan-2023 | eptc_CONF32_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -882.67434873; Eh | |||
 | 18-Jan-2023 | cafenstrole_CONF59_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94247727; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF344_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42330021; Eh | |||
 | 18-Jan-2023 | cafenstrole_CONF56_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1465.94261355; Eh | |||
 | 18-Jan-2023 | pethoxamid_CONF326_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1288.42326397; Eh |
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- 8999 Orca