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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): 41 to 60 of 9778
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | azaconazole_CONF20_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1699.07582256; Eh | |||
 | 22-Dec-2021 | azaconazole_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1699.07813560; Eh | |||
 | 22-Dec-2021 | azaconazole_CONF6_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1699.07934688; Eh | |||
 | 22-Dec-2021 | azaconazole_CONF7_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1699.07934882; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75988428; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF10_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75607024; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF11_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75604252; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF13_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75678282; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF15_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75678220; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF16_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75560608; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF17_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75562877; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF18_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75530683; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF19_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75592788; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF2_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75991401; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF20_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75571984; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF21_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75578418; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF22_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75591396; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF23_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75528156; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF3_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75980661; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF38_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75623374; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 41 to 60 of 9778
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