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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): 2241 to 2260 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrifenox_E_CONF38_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84660614; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF39_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84630598; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF4_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84325848; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF40_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84637616; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF41_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84634955; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF42_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84498619; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF43_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84660701; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF44_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84516824; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF45_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84657158; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF46_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84645925; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF47_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84662931; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF48_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84648091; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF49_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84658230; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF5_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84485733; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF50_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84654267; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF51_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84638549; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF52_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84657760; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF53_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84651029; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF54_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84651951; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF55_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84636140; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2241 to 2260 of 4613
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