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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): 321 to 340 of 9778
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | bitertanol_RS_CONF40_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77341013; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF41_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77476558; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF42_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77358007; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF43_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77358432; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF44_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77330040; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF45_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77462687; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF46_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77321004; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF5_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77651895; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF54_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77382534; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF55_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77402717; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF56_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77462235; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF57_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77452698; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF6_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77659212; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF61_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77533677; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF62_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77464578; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF63_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77548400; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF64_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77464135; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF65_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77453416; 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_CONF67_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77554210; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 321 to 340 of 9778
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