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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Nov-2022 | 06_Ir-Cl_vac | Pikulova, Petra | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UPBE1PBE | GEN | -2087.27648558; Eh | |||
 | 29-Nov-2022 | 05_Ir-OH2_vac | Pikulova, Petra | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | UPBE1PBE | GEN | -1703.35332715; Eh | |||
 | 29-Nov-2022 | 04_Ir-F_vac | Pikulova, Petra | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | UPBE1PBE | GEN | -1726.98010546; Eh | |||
 | 29-Nov-2022 | 03_Ir-N3_vac | Pikulova, Petra | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UPBE1PBE | GEN | -1791.26655541; Eh | |||
 | 29-Nov-2022 | 02_Ir-OH_vac | Pikulova, Petra | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | UPBE1PBE | GEN | -1702.95547650; Eh |
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