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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_RS_CONF16_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78497895; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF15_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78554056; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF54_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78366460; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF5_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78709727; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF4_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78714402; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF120_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66680551; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF124_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66711006; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF127_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66884147; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF129_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66713690; Eh | |||
 | 22-Dec-2021 | difenoconazole_RS_CONF128_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -2044.66870933; Eh |
Results 41-50 of 5179 (Search time: 0.002 seconds).