Semiempirical Quantum Calculations of Chiral Pillararene decorated with Alpha-hydroxyglycine for Enantioseparation of D-glucose and L-glucose
Arya Saboori a, Amir Fallah lalehzari b, Effat Jamalizadeh c, ∗

 

 

 

Comparison of 1,2-Ethanediol Synthesis Efficiency through FormoseReaction in the Presence of Aerosil and Montmorillonite Mineral Catalysts by
Arash Vojood*, Mohammad Khodadadi-Moghaddam, Gholamreza Ebrahimzadeh-Rajaei

 

 

 

Calculation of Structural and Electronic Properties of CaB2 in The Orthorhombic Phase by Hamdollah Salehi*, Akram Eskandari

Investigation of the Equilibrium Parameters of Vinyl Cyanide as an Astrochemical Molecule Using Quantum Calculations by Arya Saboori , Danial Mohammadi ,Maryam Dehestani

 Use of compartmental model for evaluation of 137Cs transfer and  absorption coefficients
Baharak Eslami*a, Somaye Malmirb

 

Adsorption of CO molecules on the pure and Vn-doped BN nanotubes by Batoul Makiabadia*, Mohammad Zakarianezhadb

Symmetry breaking in the linear configurations of SX2 (X=F, Cl, Br, I): Pseudo-Jahn-Teller effect parameters, hardness and electronegativity  by Ali Esmaeili

Calculation Of The Theory Of Thermodynamic Properties Of Ionic Liquids In Pure And Mixed State  by Shaida Safaei , Ensieh Ghasemian Lemraski * 

 

 

Study of electrochemical and structural properties of PTCDI molecule and some of its derivatives for the use in lithium-ion batteries by Faezeh Ebrahimi a,* ,Afshin Abbasi a

The effect of electrode materials on I–V characteristics behavior of 2,2,6,6-tetramethyl-3,5-heptanedione (a βdiketone) as molecular switch by Mohammad Eslah Aliabadia, Mohammad vakilia, Ayoub Kanaanib, Vahid Reza Darugara

Computational study of the synergistic effect of N, S atoms co-doping into monolayer graphdiyne nanosheet on hydrogen adsorption and storage by MONIREH DEHKHODAEI*, ADEL REISI-VANANI

Preparation of Ni/g-C3 N4 nanocomposite as electrocatalyst for hydrogen evolution reaction by Maryam Heydarpoura, Shahram Ghasemib, Abdolah Omranib

 

Structural and Optical Study of Ni-Cu thin films with the different copper percentage by Goudarzi Samira, Dalouji Vali*

 

 

 

DFT study of structural, electronic and UV-Vis spectra properties of oligopyrrole chains as candidate conducting materials by Zeinab Ashrafi and Hossein Nikoofard

Synthesis of piezoelectric nanomaterials and kinetics investigation of their performance for degradation of organic pollutants under ultrasonic vibrations  by Samaneh Mashhadizadeha, Shahrbanoo Rahman setayeshb,* 

Theoretical Investigation of Structural and Electronic Properties of AzophenolMolecular Switches and its Derivatives

by MortezaZare*, Fatemeh Omidian

Intermolecular potential energy surface for the X-𝐇𝟑 + system by Habib Jani poura, Mohammad R. Noorbalab,*, and Mansoor Namazianc

Thermodynamic evaluation of the effect of Cu2+ ion on the interaction of Ribavirin drug with BSA  by Saba Hadidi*