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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | imazalil_CONF58_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09443807; Eh | |||
 | 10-Feb-2022 | imazalil_CONF76_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09337088; Eh | |||
 | 10-Feb-2022 | imazalil_CONF85_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09772512; Eh | |||
 | 10-Feb-2022 | imazalil_CONF86_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09833562; Eh | |||
 | 10-Feb-2022 | imazalil_CONF88_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09566090; Eh | |||
 | 10-Feb-2022 | imazalil_CONF90_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1647.09819791; Eh | |||
 | 10-Feb-2022 | prothioconazole_CONF14_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2100.64094387; Eh | |||
 | 10-Feb-2022 | prothioconazole_CONF15_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2100.64065020; Eh | |||
 | 10-Feb-2022 | prothioconazole_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2100.64586922; Eh | |||
 | 10-Feb-2022 | prothioconazole_CONF15_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2100.67863003; Eh |
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