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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_CONF34_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78451319; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF44_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78520020; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF41_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78529250; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF5_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78763335; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF65_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78509036; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF62_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78505977; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF66_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77455989; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF80_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77443951; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF8_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77664102; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF91_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77355276; Eh |
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- 5179 Single point