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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): 2461 to 2480 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrifenox_Z_CONF14_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86337146; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF15_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86337484; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF16_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86369990; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF17_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86302534; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF18_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86332607; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF19_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86337623; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF2_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86313240; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF20_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86322329; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF21_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86364386; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF22_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86327790; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF23_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86350401; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF24_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86347290; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF25_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86367868; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF26_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86324395; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF3_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86306669; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF30_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86319553; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF31_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86339908; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF32_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86269995; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF33_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86295116; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF34_octanol | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.86304027; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2461 to 2480 of 4613
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