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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_CONF75_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19935715; Eh | |||
 | 1-Dec-2022 | benomyl_CONF81_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19750818; Eh | |||
 | 1-Dec-2022 | benomyl_CONF70_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19902149; Eh | |||
 | 1-Dec-2022 | benomyl_CONF76_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19525575; Eh | |||
 | 1-Dec-2022 | benomyl_CONF79_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19503131; Eh | |||
 | 1-Dec-2022 | benomyl_CONF78_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19506572; Eh | |||
 | 1-Dec-2022 | benomyl_CONF48_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19649791; Eh | |||
 | 1-Dec-2022 | benomyl_CONF63_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19883321; Eh | |||
 | 1-Dec-2022 | benomyl_CONF57_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19889438; Eh | |||
 | 1-Dec-2022 | benomyl_CONF5_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19744448; Eh |
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