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Energy Ordering of Molecular Orbitals
[Image: see text] Orbitals are invaluable in providing a model of bonding in molecules or between molecules and surfaces. Most present-day methods in computational chemistry begin by calculating the molecular orbitals of the system. To what extent have these mathematical objects analogues in the rea...
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| Publicado no: | J Phys Chem Lett |
|---|---|
| Main Authors: | , , , , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical
Society
2016
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5220489/ https://ncbi.nlm.nih.gov/pubmed/27935313 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.6b02517 |
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