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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): 2361 to 2380 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrifenox_E_CONF25_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85520053; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF26_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85522588; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF27_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85511187; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF28_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85536113; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF29_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85603660; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF3_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85447472; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF30_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85639678; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF31_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85602524; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF34_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85669961; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF35_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85665743; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF37_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85656664; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF38_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85626311; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF39_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85587876; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85507438; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF40_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85638179; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF41_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85638096; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF42_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85576033; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF43_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85667895; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF44_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85586626; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF45_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85661566; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2361 to 2380 of 4613
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