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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): 2561 to 2580 of 4613
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Feb-2022 | pyrisoxazole_RR_CONF3_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88483391; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RR_CONF4_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88431891; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RR_CONF7_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88274811; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RR_CONF8_water | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.88294054; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF1_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87042699; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF10_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.86854881; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF11_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.86856215; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF12_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.86850798; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF13_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.86844184; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF14_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87116423; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF17_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87154300; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF18_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87155975; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF19_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87153168; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF2_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87066834; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF20_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87144044; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF21_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87146943; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF22_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87156597; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF23_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87160357; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF24_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87141886; Eh | |||
 | 10-Feb-2022 | pyrisoxazole_RS_CONF25_gas | Pla Terrada, Paula | Orca; 4.2.1; RELEASE | Single point | - | def2-TZVPP | -1264.87160744; Eh |
Collection's Items (Sorted by Submit Date in Descending order): 2561 to 2580 of 4613
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