Карти розподілу молекулярного електростатичного потенціалу в дефектній вуглецевій нанотрубці типу (8,0): квантовохімічне дослідження

• Date: 2015
• Main Authors: Datsyuk, A. M., Terebinska, M. I., Lobanov, V. V.
• Format: Article
• Language: Ukrainian
• Published: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2015
• Online Access: https://surfacezbir.com.ua/index.php/surface/article/view/569
• Journal Title: Surface

Maps of the distribution of molecular electrostatic potential (MESP) in planes passing through the nanotube diameter and perpendicular to the normal drawn through the point defect were constructed based on the wave function, obtaining due to quantum-chemical calculations of properties carbon nanotub...