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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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_CONF3_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -608.76557626; Eh | |||
 | 1-Dec-2022 | fuberidazole_CONF3_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -608.76873423; Eh | |||
 | 1-Dec-2022 | carbendazim_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -663.20797635; Eh | |||
 | 1-Dec-2022 | carbendazim_CONF3_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -663.20559391; Eh | |||
 | 1-Dec-2022 | carbendazim_CONF5_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -663.18890692; Eh | |||
 | 1-Dec-2022 | carbendazim_CONF6_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -663.18890805; Eh | |||
 | 1-Dec-2022 | fuberidazole_CONF3_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -608.75146468; Eh | |||
 | 1-Dec-2022 | benomyl_CONF73_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19787451; Eh | |||
 | 1-Dec-2022 | benomyl_CONF74_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -989.19524089; Eh |
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