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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_CONF87_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.18371745; Eh | |||
 | 1-Dec-2022 | benomyl_CONF85_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.18371522; Eh | |||
 | 1-Dec-2022 | benomyl_CONF8_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.18589943; Eh | |||
 | 1-Dec-2022 | benomyl_CONF78_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.18380650; Eh | |||
 | 1-Dec-2022 | benomyl_CONF71_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.18385018; Eh | |||
 | 1-Dec-2022 | benomyl_CONF67_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.18681211; Eh | |||
 | 1-Dec-2022 | benomyl_CONF48_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.18534729; Eh | |||
 | 1-Dec-2022 | benomyl_CONF53_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.18683062; Eh | |||
 | 1-Dec-2022 | benomyl_CONF59_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.18681823; Eh | |||
 | 1-Dec-2022 | benomyl_CONF57_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.18678186; Eh |
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