Theoretical Study of the Reaction Among Isocyanide, Dialkyl Acetylenedicarboxylate and Acetic Anhydride: The Investigation of the Reaction
1. Theoretical Study of the Reaction Among Isocyanide, Dialkyl Acetylenedicarboxylate and Acetic Anhydride: The Investigation of the Reaction

Batoul Makiabadi; Mohammad Zakarianezhad; Fahimeh Koorkinejad; Hoseyn Mehdizadeh

Volume 4, Issue 4 , July and August 2020, , Pages 514-531

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.4.11

Abstract
  In this work, stepwise reaction mechanism of the [2+3] cycloaddition reaction among alkyl isocyanides (contains tert-butyl isocyanide, cyclo hexyl isocyanide) with dialkyl acetylenedicarboxylate ...  Read More
Investigation of Adsorption of the Nitrosamine Molecule as a Carcinogen Agent on the AlN Nanotubes: A DFT Study
2. Investigation of Adsorption of the Nitrosamine Molecule as a Carcinogen Agent on the AlN Nanotubes: A DFT Study

Batoul Makiabadi; Mohammad Zakarianezhad

Volume 4, Issue 2 , March and April 2020, , Pages 191-202

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.2.9

Abstract
  In this study, chemical reactivity of (4,0) and (5,0) AlN nanotubes by interaction with nitrosamine molecule as a carcinogen agent was investigated using the B3LYP/6-311++G (d) level ...  Read More