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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Jan-2023 | iprodione_CONF2_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1813.75252711; Eh | |||
 | 26-Jan-2023 | procymidone_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1627.71214302; Eh | |||
 | 26-Jan-2023 | procymidone_CONF2_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1627.71217910; Eh | |||
 | 26-Jan-2023 | procymidone_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1627.72549325; Eh | |||
 | 26-Jan-2023 | vinclozolin_CONF1_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1663.63228012; Eh | |||
 | 26-Jan-2023 | vinclozolin_CONF1_octanol | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1663.65000027; Eh | |||
 | 26-Jan-2023 | vinclozolin_CONF4_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1663.63020132; Eh | |||
 | 26-Jan-2023 | vinclozolin_CONF3_gas | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1663.63047324; Eh | |||
 | 26-Jan-2023 | vinclozolin_CONF1_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1663.64292884; Eh | |||
 | 26-Jan-2023 | vinclozolin_CONF3_water | Pulgar Rubio, Antonio | Orca; 5.0.2; RELEASE | Single point | - | def2-TZVPP | -1663.64234566; Eh |
Results 41-50 of 114 (Search time: 0.001 seconds).