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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): 2421 to 2440 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrifenox_Z_CONF16_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84633768; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF17_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84639146; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF18_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84612550; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF19_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84608187; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF2_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84446190; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF20_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84615612; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF21_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84637105; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF22_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84637868; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF23_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84619942; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF24_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84613154; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF25_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84630046; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF26_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84616623; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF3_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84453824; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF30_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84451457; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF31_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84459068; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF33_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84416843; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF34_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84419634; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF38_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84461062; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF39_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84458041; Eh | |||
 | 10-Feb-2022 | pyrifenox_Z_CONF4_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84617534; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2421 to 2440 of 4613
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