Web of Science, ISC, CAS, Google Scholar
Sensing of Lomustine Drug by Pure and Doped C48 Nanoclusters: DFT Calculations
Sensing of Lomustine Drug by Pure and Doped C48 Nanoclusters: DFT Calculations

Elnaz Golipour-Chobar; Farshid Salimi; Gholamreza Ebrahimzadeh-Rajaei

Volume 6, Issue 10 , October 2022, , Pages 790-800

https://doi.org/10.22034/chemm.2022.344895.1555

Abstract
  Interaction of lomustine with pure C48 and Al-, Si-, Ge-, and Ga-doped C47 nanoclusters was reviewed. The calculation was done using density functional theory (DFT) with the GAMESS ...  Read More
Adsorption of Tetryl on the Surface of B12N12: A Comprehensive DFT Study
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

https://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