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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): 301 to 320 of 9778
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | bitertanol_RS_CONF96_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78400662; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF99_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78409805; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF1_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77661333; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF10_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77556862; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF11_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77542596; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF12_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77546292; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF13_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77531997; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF14_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77563670; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF15_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77542862; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF16_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77530598; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF17_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77511047; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF18_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77545788; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF2_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77654968; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF3_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77661198; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF35_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77441972; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF36_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77432522; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF37_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77451451; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF38_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77335529; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF39_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77321216; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77659680; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 301 to 320 of 9778
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