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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): 141 to 160 of 9778
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | bitertanol_RR_CONF83_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78478256; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF84_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78473549; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF85_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78503481; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF86_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78472235; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF87_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78496065; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF88_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78482589; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF89_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78494031; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF9_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78491145; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF90_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78471385; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF91_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78431225; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF92_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78494480; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF93_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78424655; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF1_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77658356; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF10_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77392744; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF11_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77365330; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF16_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77325686; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF17_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77313917; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF172_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77354814; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF18_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77319527; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF19_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77320243; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 141 to 160 of 9778
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