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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...

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Detalles Bibliográficos
Autores principales: Hou, Shilin, Qureshi, Ali Hamza, Wei, Zhengxing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
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