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DOI: 10.19061/iochem-bd-6-123
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Collection's Items (Sorted by Submit Date in Descending order): 2321 to 2340 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrifenox_E_CONF5_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86281061; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF50_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86340877; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF51_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86325364; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF52_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86317310; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF53_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86245532; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF54_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86343522; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF55_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86337034; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF56_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86340144; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF57_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86335845; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF58_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86330863; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF59_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86342262; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF6_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86104463; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF60_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86305593; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF61_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86335560; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF62_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86298184; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF63_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86343347; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF64_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86338588; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF65_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86304782; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF66_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86337132; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF69_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86326206; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2321 to 2340 of 4613
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