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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): 2221 to 2240 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | triforine_RS_CONF7_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -3520.30052612; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84517077; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF10_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84350655; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF12_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84332269; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF16_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84335931; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF17_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84345580; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF18_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84339277; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF19_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84331455; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF2_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84366655; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF24_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84532343; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF25_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84512357; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF26_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84508527; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF27_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84628901; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF28_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84632407; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF29_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84631171; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF30_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84636817; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF31_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84633668; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF34_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84658841; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF35_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84663382; Eh | |||
 | 10-Feb-2022 | pyrifenox_E_CONF37_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1645.84666308; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2221 to 2240 of 4613
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