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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): 361 to 380 of 9778
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | bitertanol_RS_CONF94_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77365360; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF95_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77382674; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF96_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77368758; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF99_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.77384988; Eh | |||
 | 22-Dec-2021 | bromuconazole_cis_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4236.76962081; Eh | |||
 | 22-Dec-2021 | bromuconazole_cis_CONF13_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4236.76615512; Eh | |||
 | 22-Dec-2021 | bromuconazole_cis_CONF14_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4236.76566350; Eh | |||
 | 22-Dec-2021 | bromuconazole_cis_CONF2_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4236.76810046; Eh | |||
 | 22-Dec-2021 | bromuconazole_cis_CONF3_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4236.76982313; Eh | |||
 | 22-Dec-2021 | bromuconazole_cis_CONF5_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4236.76552994; Eh | |||
 | 22-Dec-2021 | bromuconazole_cis_CONF7_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4236.76683691; Eh | |||
 | 22-Dec-2021 | bromuconazole_cis_CONF8_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4236.76911815; Eh | |||
 | 22-Dec-2021 | bromuconazole_cis_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4236.79671670; Eh | |||
 | 22-Dec-2021 | bromuconazole_cis_CONF13_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4236.79503009; Eh | |||
 | 22-Dec-2021 | bromuconazole_cis_CONF14_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4236.79491302; Eh | |||
 | 22-Dec-2021 | bromuconazole_cis_CONF2_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4236.79602303; Eh | |||
 | 22-Dec-2021 | bromuconazole_cis_CONF3_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4236.79544246; Eh | |||
 | 22-Dec-2021 | bromuconazole_cis_CONF30_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4236.79357220; Eh | |||
 | 22-Dec-2021 | bromuconazole_cis_CONF8_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4236.79623570; Eh | |||
 | 22-Dec-2021 | bromuconazole_cis_CONF1_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -4236.78734819; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 361 to 380 of 9778
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