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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): 221 to 240 of 9778
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | bitertanol_RS_CONF13_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75847399; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF14_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75847310; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF15_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75843248; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF16_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75844304; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF17_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75849561; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF18_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75840536; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF2_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75899506; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF3_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75908178; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF4_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75909630; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF5_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75902346; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF6_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75909176; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF61_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75623551; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF63_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75626623; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF67_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75668107; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF68_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75670869; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF69_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75631727; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF7_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75901277; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF70_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75703264; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF72_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75668975; Eh | |||
 | 22-Dec-2021 | bitertanol_RS_CONF74_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75671697; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 221 to 240 of 9778
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