Volume 8 (2024)
Volume 7 (2023)
Volume 6 (2022)
Volume 5 (2021)
Volume 4 (2020)
Volume 3 (2019)
Volume 2 (2018)
Volume 1 (2017)
Author = Roya Ahmadi
Number of Articles: 4
Chloral Hydrate Adsorption on the Surface of Pristine and Al-doped Boron Nitride Nanoclusters: A Comprehensive and Comparative Theoretical Study
Volume 8, Issue 2 , February 2024, , Pages 72-84
Abstract
This study investigated the potential of pristine and Al-doped BN nanoclusters (B12N12, AlB11N12) as adsorbents and sensing materials for the removal and detection of Chloral hydrate ... Read MoreInteraction of Graphene with Amoxicillin Antibiotic by in Silico Study
Volume 6, Issue 11 , November 2022, , Pages 861-871
Abstract
This paper examined interaction of Graphene with Amoxicillin antibiotic through density functional theory (DFT) and by using molecular docking method. For this, the structures of Amoxicillin ... Read MoreAdsorption of Tetryl on the Surface of B12N12: A Comprehensive DFT Study
Volume 4, Issue 1 , January and February 2020, , Pages 40-54
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 MoreEvaluating Adsorption of Proline Amino Acid on the Surface of Fullerene (C60) and Carbon Nanocone by Density Functional Theory
Volume 4, Issue 1 , January and February 2020, , Pages 68-79