Cargando…
Linking the Interatomic Exchange-Correlation Energy to Experimental J-Coupling Constants
[Image: see text] The main aim of the current work is to find an experimental connection to the interatomic exchange-correlation energy as defined by the energy decomposition method Interacting Quantum Atoms (IQA). A suitable candidate as (essentially) experimental quantity is the nuclear magnetic r...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9869393/ https://www.ncbi.nlm.nih.gov/pubmed/36608277 http://dx.doi.org/10.1021/acs.jpca.2c07693 |