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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | epoxiconazole_RS_CONF12_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1455.22643249; Eh | |||
 | 22-Dec-2021 | epoxiconazole_RS_CONF13_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1455.23096814; Eh | |||
 | 22-Dec-2021 | epoxiconazole_RS_CONF8_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1455.20500038; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF10_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77556862; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF1_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77661333; Eh | |||
 | 22-Dec-2021 | epoxiconazole_RS_CONF14_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1455.23100840; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF14_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77563670; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF13_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77531997; Eh | |||
 | 22-Dec-2021 | epoxiconazole_RS_CONF7_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1455.22879690; Eh | |||
 | 22-Dec-2021 | epoxiconazole_RS_CONF8_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1455.23069182; Eh |
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- 5179 Orca