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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_CONF16_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19782511; Eh | |||
 | 1-Dec-2022 | benomyl_CONF22_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19785411; Eh | |||
 | 1-Dec-2022 | carbendazim_CONF1_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -663.20535249; Eh | |||
 | 1-Dec-2022 | fuberidazole_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -608.76873413; Eh | |||
 | 1-Dec-2022 | fuberidazole_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -608.76455888; Eh | |||
 | 1-Dec-2022 | fuberidazole_CONF4_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -608.76708289; Eh | |||
 | 1-Dec-2022 | fuberidazole_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -608.75145530; Eh | |||
 | 1-Dec-2022 | benomyl_CONF66_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19913919; Eh | |||
 | 1-Dec-2022 | benomyl_CONF7_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19726596; Eh | |||
 | 1-Dec-2022 | benomyl_CONF44_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19564678; Eh |
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