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Atomic Charges in Highly Ionic Diatomic Molecules
[Image: see text] Atomic charges were investigated as functions of detectable atomic and molecular constants at equilibrium structures. It was found based upon the variation idea that atomic charges in highly ionic molecules can be expressed as a function of molecular dipole moments, polarizabilitie...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6643469/ https://www.ncbi.nlm.nih.gov/pubmed/31458337 http://dx.doi.org/10.1021/acsomega.8b02370 |