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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Dec-2021 | mefentrifluconazole_CONF38_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1769.53838209; Eh | |||
 | 21-Dec-2021 | mefentrifluconazole_CONF37_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1769.53824937; Eh | |||
 | 21-Dec-2021 | mefentrifluconazole_CONF70_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1769.53856080; Eh | |||
 | 21-Dec-2021 | mefentrifluconazole_CONF77_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1769.53704699; Eh | |||
 | 21-Dec-2021 | mefentrifluconazole_CONF80_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1769.53477524; Eh | |||
 | 21-Dec-2021 | metconazole_cis_CONF24_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1360.82912955; Eh | |||
 | 21-Dec-2021 | metconazole_cis_CONF26_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1360.82915354; Eh | |||
 | 21-Dec-2021 | metconazole_cis_CONF22_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1360.82932120; Eh | |||
 | 21-Dec-2021 | metconazole_cis_CONF13_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1360.85465863; Eh | |||
 | 21-Dec-2021 | metconazole_cis_CONF12_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1360.85489394; Eh |
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- 7855 Orca