Cargando…
Simultaneous Visualization of Covalent and Noncovalent Interactions Using Regions of Density Overlap
[Image: see text] We introduce a density-dependent bonding descriptor that enables simultaneous visualization of both covalent and noncovalent interactions. The proposed quantity is tailored to reveal the regions of space, where the total electron density results from a strong overlap of shell, atom...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2014
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158806/ https://www.ncbi.nlm.nih.gov/pubmed/25221443 http://dx.doi.org/10.1021/ct500490b |