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

• 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
• Journal Title: Surface

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...