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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): 281 to 300 of 9778
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | bitertanol_RS_CONF67_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78598497; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF68_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78615660; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF69_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78639431; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF7_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78692224; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF70_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78562588; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF72_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78567025; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF74_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78571537; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF76_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78595179; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF77_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78582667; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF8_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78698196; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF82_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78588526; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF83_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78588597; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF89_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78403706; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF9_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78691230; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF90_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78401277; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF91_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78392548; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF92_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78404002; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF93_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78397121; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF94_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78402855; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF95_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78392029; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 281 to 300 of 9778
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