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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | oxpoconazole_CONF352_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51048627; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF35_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51017418; Eh | |||
 | 10-Feb-2022 | triflumizole_E_CONF43_octanol | Pla Terrada, Paula | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP; TD-FC | 6-311+G(D,P) 6-311+G(3DF,2P) | -1580.2967528; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF318_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51289887; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF323_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51135677; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF315_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51153683; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF275_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51286034; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF276_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51266386; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF277_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51270721; Eh | |||
 | 10-Feb-2022 | oxpoconazole_CONF279_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1513.51254429; Eh |
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