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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): 2501 to 2520 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrifenox_Z_CONF10_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85611236; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF11_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85719693; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF12_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85700762; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF13_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85707136; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF14_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85685276; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF15_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85681807; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF16_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85717803; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF17_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85667894; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF18_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85674777; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF19_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85682901; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF2_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85675663; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF20_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85642486; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF21_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85716613; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF22_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85687295; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF23_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85689245; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF24_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85690200; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF25_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85699250; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF26_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85703211; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF3_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85669003; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF30_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.85634051; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2501 to 2520 of 4613
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