Compound 56: bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)copper. Computational data
DOI: 10.14469/hpc/11299 Metadata
Created: 2022-10-08 09:02
Last modified: 2024-11-22 09:47
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian16 calculations of wavefunction.
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/10385 | Compound 56: bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)copper |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/10292 | Compound 56: bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)copper M062X/Def2-SVP, Two short Cu-N bonds G = -3270.768676 |
| 10.14469/hpc/10311 | Compound 56: bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)copper ROM062X/Def2-SVP, Two short Cu-N bonds G = -3270.766757 ROHF |
| 10.14469/hpc/10323 | Compound 56: bis((4-(ethoxycarbonyl)-1H-pyrazol-5-yl)oxy)copper, ROM062X/Def2-SVP, Two long Cu-N |
Subject Keywords
| Keyword | Value |
|---|---|
| IFD.Comp | Gaussian Computation |