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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): 61 to 80 of 9778
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | bitertanol_RR_CONF39_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75624027; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF4_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75988957; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF40_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75624830; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF41_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75613550; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF44_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75617870; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF45_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75619177; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF46_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75620479; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF48_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75561899; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF49_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75563995; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF5_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75991486; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF50_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75567489; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF51_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75565379; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF52_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75561335; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF53_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75569638; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF54_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75682688; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF55_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75689009; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF56_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75680027; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF57_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75678635; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF58_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75544749; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF59_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75547494; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 61 to 80 of 9778
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