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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Dec-2021 | etaconazole_RS_CONF70_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.71585161; Eh | |||
 | 21-Dec-2021 | etaconazole_RS_CONF75_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.71767921; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF124_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.65098553; Eh | |||
 | 21-Dec-2021 | etaconazole_RS_CONF78_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.71826453; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF242_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.65457122; Eh | |||
 | 21-Dec-2021 | etaconazole_RS_CONF84_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1777.71972615; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF744_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.65674148; Eh | |||
 | 21-Dec-2021 | imibenconazole_cis_CONF24_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2653.51146660; Eh | |||
 | 10-Feb-2022 | prochloraz_CONF791_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2276.65512804; Eh | |||
 | 21-Dec-2021 | imibenconazole_cis_CONF25_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2653.50639865; Eh |
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