Adsorption of Tetryl on the Surface of B12N12: A Comprehensive DFT Study
1. Adsorption of Tetryl on the Surface of B12N12: A Comprehensive DFT Study

Mohammad Reza Jalali Sarvestani; Roya Ahmadi

Volume 4, Issue 1 , January and February 2020, , Pages 40-54

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.1.4

Abstract
  In this study, the adsorption of tetryl on the surface of boron nitride cage was evaluated by density functional theory. For this purpose, the structures of tetryl, B12N12, and the ...  Read More
Evaluating Adsorption of Proline Amino Acid on the Surface of Fullerene (C60) and Carbon Nanocone by Density Functional Theory
2. Evaluating Adsorption of Proline Amino Acid on the Surface of Fullerene (C60) and Carbon Nanocone by Density Functional Theory

Roya Ahmadi; Mohammad Reza Jalali Sarvestani; , Razieh Taghavizad; Naser Rahim

Volume 4, Issue 1 , January and February 2020, , Pages 68-79

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.1.6

Abstract
  Determination of proline is of great importance and investigating the interaction of this amino acid with nanostructures play a key role in the construction of novel appropriate sensors ...  Read More