Cargando…
EDA–NOCV Calculation for Efficient N(2) Binding to the Reduced Ni(3)S(8) Complex: Estimation of Ni–N(2) Intrinsic Interaction Energies
[Image: see text] The binding of the dinitrogen molecule to the metal center is the first and crucial step toward dinitrogen activation. Favorable interaction energies are desired by chemists and biochemists to study model complexes in the laboratory. An electrochemically reduced form of a previousl...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8674922/ https://www.ncbi.nlm.nih.gov/pubmed/34926888 http://dx.doi.org/10.1021/acsomega.1c03715 |