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DOI: 10.19061/iochem-bd-6-121
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Collection's Items (Sorted by Submit Date in Descending order): 261 to 280 of 9778
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | bitertanol_RS_CONF14_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78554503; 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_CONF16_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78497895; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF17_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78513571; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF18_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78531837; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF2_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78701003; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF3_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78698852; 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 | bitertanol_RS_CONF5_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78709727; 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_CONF55_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78378944; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF56_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78398937; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF57_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78401902; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF6_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78701130; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF61_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78611783; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF62_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78396984; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF63_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78632002; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF64_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78428538; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF65_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78408397; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF66_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78414248; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 261 to 280 of 9778
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