Abstract
First Principal and QM/MM Study of Dopamine Adsorption on Single Wall Carbon Nano Tubes and Single Wall Boroan Nitride Nano Tubes
Mojgan Jalili
DOI : http://dx.doi.org/10.13005/ojc/320335
Abstract:
In the brain, dopamine functions as a neurotransmitter a chemical released by neurons (nerve cells) to send signals to other nerve cells. The brain includes several distinct dopamine pathways, one of which plays a major role in reward-motivated behavior. In this work we have calculated our systems based on the Dopamine binding with various diameters of SWBNNTs and SWCNTs. In this work, the electron density profile in the composition of the Dopamine binding to SWCNTs and SWBNNTs have been calculated.
Keywords:dopamine; adsorption on SWCNTs and SWBNNTs; LOL; ELF
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