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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): 121 to 140 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_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78468689; 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_CONF50_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78488059; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF51_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78483509; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF52_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78483381; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF53_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78481609; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF54_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78587476; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF55_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78595697; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF56_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78577818; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF57_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78580696; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF58_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78495160; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF59_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78515049; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF6_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78490881; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF60_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78514316; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF61_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78514284; 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_RR_CONF65_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78509036; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF66_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78511662; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF67_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78501909; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF8_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78468381; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 121 to 140 of 9778
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