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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): 81 to 100 of 9778
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Dec-2021 | bitertanol_RR_CONF6_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75605945; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF60_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75555102; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF61_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75540737; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF62_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75534799; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF65_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75535316; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF66_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75536730; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF67_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75539287; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF7_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75608271; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF8_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75610400; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF9_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.75606645; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78780161; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF10_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78487150; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF11_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78470377; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF16_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78396178; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF17_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78437931; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF18_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78388315; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF19_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78406241; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF2_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78774728; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF20_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78377619; Eh | |||
 | 22-Dec-2021 | bitertanol_RR_CONF21_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1090.78441997; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 81 to 100 of 9778
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