Квантовохімічний дизайн нових полімерних матеріалів на основі тетраоксо[8]циркулену

On the basis of the density functional theory calculations novel tetraoxa[8]circulene-based polymeric materials have been designed with the usage of the periodic boundary conditions for the infinite structures. Quantum chemical study of the electronic spectra and structure for the studied compounds...

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Bibliographic Details
Date:2017
Main Authors: Baryshnikov, G. V., Karaush, N. N., Minaeva, V. A., Minaev, B. F.
Format: Article
Language:Russian
Published: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2017
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Online Access:https://www.cpts.com.ua/index.php/cpts/article/view/336
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Journal Title:Chemistry, Physics and Technology of Surface

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Chemistry, Physics and Technology of Surface