Procarbazine adsorption on the surface of single walled carbon nanotube: DFT studies

Procarbazine adsorption on the surface of single walled carbon nanotube: DFT studies

< p>In this research, the performance of single-walled carbon nanotube (SWCN) as a sensor and nanocarrier for procarbazine (PC) was investigated by infra-red (IR), natural bond orbital (NBO), frontier molecular orbital (FMO) computations. All of the computations were done using the density fun...

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Bibliographic Details
Main Authors: Mohammad Reza Jalali Sarvestani, Roya Ahmadi, Behnam Farhang Rik
Format: Article
Language:English
Published: Iranian Chemical Science and Technologies Association 2020-10-01
Series:Chemical Review and Letters
Subjects:
procarbazine
dft
carbon nanotube
adsorption
Online Access:http://www.chemrevlett.com/article_110451_49342887bf8362fd500ac17cd0d35c46.pdf

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