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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): 341 to 360 of 9778
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | bitertanol_RS_CONF68_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77548013; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF69_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77564293; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF7_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77638702; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF70_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77523535; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF71_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77477573; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF72_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77537108; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF74_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77514527; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF75_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77464488; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF76_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77536236; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF77_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77539657; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF8_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77664102; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF80_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77443951; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF82_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77555995; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF83_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77550901; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF87_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77436073; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF89_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77325937; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF9_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77678609; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF90_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77360345; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF91_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77355276; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF92_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77356471; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 341 to 360 of 9778
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