Chemistry rich diagrams: do crystal structures carry spin information?
DOI: 10.14469/hpc/2675 Metadata
Created: 2017-06-18 15:27
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Conquest search query for Fe(II) di-imine complexes and spin-state energies for Fe(2+).
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| Fe.qry | 4KB | application/octet-stream | Conquest search query definition |
| fe+-1262.6472710-singlet=92.4.log | 18KB | chemical/x-gaussian-log | Gaussian output file |
| fe+-1262.69973787-triplet=59.5.log | 22KB | chemical/x-gaussian-log | Gaussian output file |
| fe+-1262.79462193-quintet.log | 19KB | chemical/x-gaussian-log | Gaussian output file |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/177 | Computation data for Henry Rzepa's blog |