Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
29-Nov-2022 | 03_Ir-N3_solv | Pikulova, Petra | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UPBE1PBE | GEN | -1791.27071706; Eh | ||||
29-Nov-2022 | 06_Ir-Cl_solv | Pikulova, Petra | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UPBE1PBE | GEN | -2087.28249576; 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 | 06_Ir-Cl_vac | Pikulova, Petra | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UPBE1PBE | GEN | -2087.27648558; 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 | 08_Ir-Br_vac | Pikulova, Petra | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | UPBE1PBE | GEN | -4201.07570109; Eh | ||||
29-Nov-2022 | 10_Ir-N-d5_vac | Pikulova, Petra | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | UPBE1PBE | GEN | -2093.47085881; Eh | ||||
29-Nov-2022 | 09_Ir-CH3_vac | Pikulova, Petra | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | UPBE1PBE | GEN | -1667.01828622; 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 | 07_Ir-NH3_solv | Pikulova, Petra | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UPBE1PBE | GEN | -1683.56285653; Eh |
Results 1-10 of 15 (Search time: 0.002 seconds).
Discover
Subject