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Polar Metallocenes

Crystalline polar metallocenes are potentially useful active materials as piezoelectrics, ferroelectrics, and multiferroics. Within density functional theory (DFT), we computed structural properties, energy differences for various phases, molecular configurations, and magnetic states, computed polar...

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Detalles Bibliográficos
Autores principales: Zhang, Haiwu, Yavorsky, B.Yu., Cohen, R.E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6384802/
https://www.ncbi.nlm.nih.gov/pubmed/30700050
http://dx.doi.org/10.3390/molecules24030486