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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Dec-2022 | benomyl_CONF20_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19733674; Eh | |||
 | 1-Dec-2022 | benomyl_CONF66_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20858794; Eh | |||
 | 1-Dec-2022 | benomyl_CONF83_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20699970; Eh | |||
 | 1-Dec-2022 | benomyl_CONF65_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20843282; Eh | |||
 | 1-Dec-2022 | benomyl_CONF73_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20735106; Eh | |||
 | 1-Dec-2022 | benomyl_CONF82_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20698268; Eh | |||
 | 1-Dec-2022 | benomyl_CONF7_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20701239; Eh | |||
 | 1-Dec-2022 | benomyl_CONF70_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20834033; Eh | |||
 | 1-Dec-2022 | benomyl_CONF67_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20856384; Eh | |||
 | 1-Dec-2022 | benomyl_CONF81_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.20701674; Eh |
Results 31-40 of 230 (Search time: 0.001 seconds).