Molecular Structure of a Carbosilane Oligomer

— In this paper, we report a detailed study of the molecular structure of a preceramic carbosilane and the visualization and optimization of its geometric structure. Using quantum-chemical calculations, we have identified the most probable structure of the oligomeric carbosilane and obtained thermod...

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Veröffentlicht in:	Inorganic materials 2020-03, Vol.56 (3), p.304-308
Hauptverfasser:	Shcherbakova, G. I., Sidorov, D. V., Mapolis, A. P., Storozhenko, P. A., Kirilin, A. D., Belova, L. O., Zhigalov, D. V.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry Chemistry and Materials Science Industrial Chemistry/Chemical Engineering Inorganic Chemistry Materials Science Molecular structure Optimization Quantum chemistry
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Beschreibung
Zusammenfassung:	— In this paper, we report a detailed study of the molecular structure of a preceramic carbosilane and the visualization and optimization of its geometric structure. Using quantum-chemical calculations, we have identified the most probable structure of the oligomeric carbosilane and obtained thermodynamic data for it.
ISSN:	0020-1685 1608-3172
DOI:	10.1134/S0020168520030188