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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | bitertanol_RR_CONF21_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77344525; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF40_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77455976; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF41_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77478084; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77669055; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF50_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77422376; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF5_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77643779; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF6_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77378039; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF60_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77615942; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75901596; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF10_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75850133; Eh |
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- 5179 Single point