Коливальні стани кластерів, які моделюють адсорбційні комплекси кисню на грані Si(100)

Vibrational states (frequencies and forms of vibrations) of O2 molecules adsorption complexes were calculated due to density functional theory method (B3LYP, 6-31G **). These complexes recreate the conversion of molecular oxygen adsorbed complexes containing siloxane bonds.  Frequencies...

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Bibliographic Details
Date:2014
Main Authors: Terebinska, M. I., Filonenko, O. V., Lobanov, V. V.
Format: Article
Language:Ukrainian
Published: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2014
Online Access:https://surfacezbir.com.ua/index.php/surface/article/view/533
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Journal Title:Surface
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Surface