Sulfate Sulfuric Acid (SUSA)/NaNO2: Efficient Procedure for N-Nitrosation of Secondary Amines and DFT Studies of the Products
1. Sulfate Sulfuric Acid (SUSA)/NaNO2: Efficient Procedure for N-Nitrosation of Secondary Amines and DFT Studies of the Products

Lotfi Shiri; Davood Sheikh; Sakineh Janinia; Masoome Sheikhi

Volume 3, Issue 4 , July and August 2019, , Pages 392-407

http://dx.doi.org/10.22034/chemm.2018.150101.1095

Abstract
  We present the preparation and characterization of sulfate sulfuric acid (SUSA) for the first time. The SUSA showed the best activity in efficient nitrosation of ...  Read More
Thermostable Polarizing Film on the Basis of Poly (vinyl alcohol) and New Dichroic Synthesized Azo Dye for Optical Applications: Theoretical and Experimental Investigations
2. Thermostable Polarizing Film on the Basis of Poly (vinyl alcohol) and New Dichroic Synthesized Azo Dye for Optical Applications: Theoretical and Experimental Investigations

Siyamak Shahab; Liudmila Filippovich; Masoome Sheikhi

Volume 1, Issue 2 , September and October 2017, , Pages 159-172

http://dx.doi.org/10.22631/chemm.2017.96853.1009

Abstract
  Quantum-chemical calculations using the Density Functional Theory (DFT) approach for structural analysis of the new dichroic mono azo dye: Sodium (E)-5-((4-carboxylatophenyl)diazenyl)-2-hydroxybenzoate ...  Read More
Molecular Structure, NMR, FMO, MEP and NBO Analysis of Ethyl-(Z)-3-phenyl-2-(5-phenyl-2H-1,2,3,4-tetraazol-2-yl)-2-propenoate Based on HF and DFT Calculations
3. Molecular Structure, NMR, FMO, MEP and NBO Analysis of Ethyl-(Z)-3-phenyl-2-(5-phenyl-2H-1,2,3,4-tetraazol-2-yl)-2-propenoate Based on HF and DFT Calculations

Ali Ramazani; Masoome Sheikhi; Hooriye Yahyaei

Volume 1, Issue 1 , May and June 2017, , Pages 28-48

http://dx.doi.org/10.22631/chemm.2017.95510.1006

Abstract
  In the present work, for the first time the quantum calculations of Ethyl-(Z)-3-phenyl-2-(5-phenyl-2H-1,2,3,4-tetraazol-2-yl)-2-propenoate are evaluated using the HF and B3LYP methods ...  Read More