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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): 241 to 260 of 9778
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | bitertanol_RS_CONF76_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75667877; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF77_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75710227; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF8_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75902796; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF82_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75672125; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF83_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75659125; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF89_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75605426; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF9_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75899058; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF90_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75596607; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF91_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75600604; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF92_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75606033; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF93_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75591724; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF94_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75583831; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF95_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75583081; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF99_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75591855; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78710236; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF10_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78559850; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF11_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78528157; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF111_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78333970; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF12_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78552463; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF13_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78570041; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 241 to 260 of 9778
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