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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
21-Dec-2021 | penconazole_CONF14_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1589.16626927; Eh | ||||
21-Dec-2021 | propiconazole_RR_CONF63_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03223895; Eh | ||||
21-Dec-2021 | metconazole_trans_CONF41_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1360.84959613; Eh | ||||
21-Dec-2021 | myclobutanil_CONF22_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1261.08572187; Eh | ||||
21-Dec-2021 | propiconazole_RS_CONF46_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1817.03365026; Eh | ||||
21-Dec-2021 | tebuconazole_CONF260_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1322.72898900; Eh | ||||
21-Dec-2021 | tetraconazole_CONF5_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2061.44148844; Eh | ||||
21-Dec-2021 | tetraconazole_CONF210_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2061.44236618; Eh | ||||
21-Dec-2021 | tetraconazole_CONF87_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2061.44104099; Eh | ||||
21-Dec-2021 | triadimefon_CONF9_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1318.11152655; Eh |
Results 11-20 of 5179 (Search time: 0.001 seconds).