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
Computational Investigation into the Solvent Effect on the Diels-Alder Reaction of Isobenzofuran and Ethylene
2. Computational Investigation into the Solvent Effect on the Diels-Alder Reaction of Isobenzofuran and Ethylene

Elham Sheikh Ansari; Reza Ghiasi; Ali Forghaniha

Volume 4, Issue 3 , May and June 2020, , Pages 220-233

http://dx.doi.org/10.33945/SAMI/CHEMM/2020.3.1

Abstract
  In this work, density functional theory (DFT) method was employed at the M062X/6–311G (d,p) level of theory to investigate the Diels-Alder reaction of isobenzofuran and ethylene ...  Read More