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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): 181 to 200 of 9778
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | bitertanol_RR_CONF49_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77391346; 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_CONF50_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77422376; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF51_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77422585; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF52_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77403490; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF53_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77421087; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF54_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77524154; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF55_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77480698; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF56_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77491736; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF57_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77481028; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF58_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77584828; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF59_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77603228; 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_RR_CONF61_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77612632; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF62_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77605570; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF65_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77609131; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF66_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77609206; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF67_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77598099; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF69_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77392816; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 181 to 200 of 9778
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