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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...
Autores principales: | Zhang, Haiwu, Yavorsky, B.Yu., Cohen, R.E. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2019
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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 |
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