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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): 2281 to 2300 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrifenox_E_CONF83_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84442376; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF9_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84350530; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF1_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86265826; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF10_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86162092; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF11_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86172726; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF12_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86108567; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF13_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86151609; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF14_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86171559; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF15_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86132495; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF16_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86110168; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF17_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86155878; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF18_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86115209; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF19_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86117625; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF2_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86166304; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF20_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86150264; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF21_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86147941; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF24_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86180039; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF25_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86134621; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF26_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86143875; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF27_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86193053; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2281 to 2300 of 4613
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